Formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate (C3H4Cl2F2NO3P)
Identification of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Chemical Compound
![2D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate](http://static.molinstincts.com/compound_common/chloro-fluoro-methylidene-amino-2-chloroethyl-fluorophosphonate-2D-structure-CT1096471309.png)
| Chemical Formula | C3H4Cl2F2NO3P |
|---|---|
| Molecular Weight | 241.945328 g/mol |
| IUPAC Name | [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate |
| SMILES String | FC(Cl)=NOP(F)(=O)OCCCl |
| InChI | InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2 |
| InChIKey | SMQFEAVRLRGYDY-UHFFFAOYSA-N |
Chemical Formula Description
The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate molecule contains a total of 16 atom(s). There are 4 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Phosphorous atom(s), 2 Fluorine atom(s), and 2 Chlorine atom(s). A chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate can therefore be written as:
C3H4Cl2F2NO3P
The chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
![3D chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate](http://static.molinstincts.com/compound_3d/chloro-fluoro-methylidene-amino-2-chloroethyl-fluorophosphonate-3D-structure-CT1096471309.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Molecule
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Structure Data File (SDF/MOL File) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The structure data file (SDF/MOL File) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available for download in the SDF page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate providing the information about the atoms, bonds, connectivity and coordinates of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which is not completely available in the chemical formula representation. The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The chemical structure image of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available in chemical structure page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate and the chemical bonds that hold the atoms together.
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Molecular weight of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The molecular weight of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is available in molecular weight page of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate.
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InChI (IUPAC International Chemical Identifier) information of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is:
InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2
It can provide a standard way to encode the molecular information of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate is:
InChIKey=SMQFEAVRLRGYDY-UHFFFAOYSA-N
The InChIKey may allow easier web searches for [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate, but it needs to be linked to the full InChI to get back to the original structure of the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate
The [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate including the registry numbers is given below, if available:
None available.
[chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
|---|
| C3H4Cl2F2NO3P |
| How many atoms and what are they in the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate structure? |
| 16 atom(s) - 4 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Phosphorous atom(s), 2 Fluorine atom(s), and 2 Chlorine atom(s) |
| How many chemical bonds and what are they in the [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate structure? |
| 15 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 1 phosphonate(s) (thio-) |
| What’s the molecular weight of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| 241.945328 g/mol |
| What’s the SMILES string of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| FC(Cl)=NOP(F)(=O)OCCCl |
| What’s the InChI of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| InChI=1S/C3H4Cl2F2NO3P/c4-1-2-10-12(7,9)11-8-3(5)6/h1-2H2 |
| What’s the InChIKey of [chloro(fluoro)methylidene]amino (2-chloroethyl) fluorophosphonate? |
| SMQFEAVRLRGYDY-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).