Formula of Stauffer R-10669 (C11H12N2O7)
Identification of Stauffer R-10669 Chemical Compound
| Chemical Formula | C11H12N2O7 |
|---|---|
| Molecular Weight | 284.22218 g/mol |
| IUPAC Name | butyl (2,4-dinitrophenyl) carbonate |
| SMILES String | CCCCOC(=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| InChI | InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | UKVCWXQPMRARHZ-UHFFFAOYSA-N |
Chemical Formula Description
The Stauffer R-10669 molecule contains a total of 32 atom(s). There are 12 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s). A chemical formula of Stauffer R-10669 can therefore be written as:
C11H12N2O7
The chemical formula of Stauffer R-10669 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Stauffer R-10669 Molecule
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Structure Data File (SDF/MOL File) of Stauffer R-10669
The structure data file (SDF/MOL File) of Stauffer R-10669 is available for download in the SDF page of Stauffer R-10669 providing the information about the atoms, bonds, connectivity and coordinates of Stauffer R-10669, which is not completely available in the chemical formula representation. The Stauffer R-10669 structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Stauffer R-10669
The chemical structure image of Stauffer R-10669 is available in chemical structure page of Stauffer R-10669, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Stauffer R-10669 and the chemical bonds that hold the atoms together.
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Molecular weight of Stauffer R-10669
The molecular weight of Stauffer R-10669 is available in molecular weight page of Stauffer R-10669, 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 Stauffer R-10669.
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InChI (IUPAC International Chemical Identifier) information of Stauffer R-10669
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Stauffer R-10669 is:
InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3
It can provide a standard way to encode the molecular information of Stauffer R-10669 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 Stauffer R-10669 is:
InChIKey=UKVCWXQPMRARHZ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Stauffer R-10669, but it needs to be linked to the full InChI to get back to the original structure of the Stauffer R-10669 since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Stauffer R-10669
The Stauffer R-10669 compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Stauffer R-10669 including the registry numbers is given below, if available:
- Butyl-2,4-dinitrofenylester kyseliny uhlicite
- 15741-91-0
- Butyl-2,4-dinitrofenylester kyseliny uhlicite [Czech]
- CARBONIC ACID, BUTYL 2,4-DINITROPHENYL ESTER
- ENT 27,364
- R-10669
- Butyl 2,4-dinitrophenyl carbonate
- Stauffer R-10669
Stauffer R-10669 Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Stauffer R-10669? |
|---|
| C11H12N2O7 |
| How many atoms and what are they in the Stauffer R-10669 structure? |
| 32 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 7 Oxygen atom(s) |
| How many chemical bonds and what are they in the Stauffer R-10669 structure? |
| 32 bond(s) - 20 non-H bond(s), 11 multiple bond(s), 8 rotatable bond(s), 5 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carbonate (-thio) derivative(s), and 2 nitro group(s) (aromatic) |
| What’s the molecular weight of Stauffer R-10669? |
| 284.22218 g/mol |
| What’s the SMILES string of Stauffer R-10669? |
| CCCCOC(=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| What’s the InChI of Stauffer R-10669? |
| InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3 |
| What’s the InChIKey of Stauffer R-10669? |
| UKVCWXQPMRARHZ-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).