Formula of Furilazole (C11H13Cl2NO3)
Identification of Furilazole Chemical Compound
Chemical Formula | C11H13Cl2NO3 |
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Molecular Weight | 278.13182 g/mol |
IUPAC Name | 2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethan-1-one |
SMILES String | CC1(C)OC(CN1C(=O)C(Cl)Cl)c2ccco2 |
InChI | InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3 |
InChIKey | MCNOFYBITGAAGM-UHFFFAOYSA-N |
Chemical Formula Description
The Furilazole molecule contains a total of 30 atom(s). There are 13 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s). A chemical formula of Furilazole can therefore be written as:
C11H13Cl2NO3
The chemical formula of Furilazole 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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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Furilazole Molecule
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Structure Data File (SDF/MOL File) of Furilazole
The structure data file (SDF/MOL File) of Furilazole is available for download in the SDF page of Furilazole providing the information about the atoms, bonds, connectivity and coordinates of Furilazole, which is not completely available in the chemical formula representation. The Furilazole structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Furilazole
The chemical structure image of Furilazole is available in chemical structure page of Furilazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Furilazole and the chemical bonds that hold the atoms together.
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Molecular weight of Furilazole
The molecular weight of Furilazole is available in molecular weight page of Furilazole, 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 Furilazole.
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InChI (IUPAC International Chemical Identifier) information of Furilazole
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Furilazole is:
InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3
It can provide a standard way to encode the molecular information of Furilazole 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 Furilazole is:
InChIKey=MCNOFYBITGAAGM-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Furilazole, but it needs to be linked to the full InChI to get back to the original structure of the Furilazole since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Furilazole
The Furilazole compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Furilazole including the registry numbers is given below, if available:
- ETHANONE,2,2-DICHLORO-1-[5-(2-FURANYL)-2,2-DIMETHYL-3-OXAZOLIDINYL]-
- ETHANONE 2 2-DICHLORO-1-[5-(2-FURANYL)-2 2-DIMETHYL-3-OXAZOLIDINYL]-
- 2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone
- 2,2-Dichloro-1-(5-(furan-2-yl)-2,2-dimethyloxazolidin-3-yl)ethanone
- (RS)-3-Dichloroacetyl-5-(2-furanyl)-2,2-dimethyl-1,3-oxazolidine
- Furilazole, PESTANAL(R), analytical standard
- MON-13900
- MFCD03792863
- 3685AH
- Ethanone, 2,2-dichloro-1-[(5R)-5-(2-furanyl)-2,2-dimethyl-3-oxazolidinyl]-
- C11H13Cl2NO3
- 141980-03-2
- (RS)-3-dichloroacetyl-5-(2-furanyl)-2,2-dimethyloxazolidine
- Oxazolidine, 3-(dichloroacetyl)-5-(2-furanyl)-2,2-dimethyl-
- MON 13900
- 3-(Dichloroacetyl)-5-(2-furanyl)-2,2-dimethyloxazolidine
- Furilazole [ISO:BSI}
- Furilazole [ISO:BSI]
- Furizalole
- 121776-33-8
- Furilazole
- Nanogen Index Code FUA (3-010)
Furilazole Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Furilazole? |
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C11H13Cl2NO3 |
How many atoms and what are they in the Furilazole structure? |
30 atom(s) - 13 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what are they in the Furilazole structure? |
31 bond(s) - 18 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 5 aromatic bond(s), 2 five-membered ring(s), 1 tertiary amide(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Furane(s) |
What’s the molecular weight of Furilazole? |
278.13182 g/mol |
What’s the SMILES string of Furilazole? |
CC1(C)OC(CN1C(=O)C(Cl)Cl)c2ccco2 |
What’s the InChI of Furilazole? |
InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3 |
What’s the InChIKey of Furilazole? |
MCNOFYBITGAAGM-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).