SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Furilazole is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Furilazole molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- 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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Chemical structure of Furilazole
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Furilazole
The chemical formula of Furilazole is given in chemical formula page of Furilazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Furilazole
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Furilazole including the registry numbers are listed 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 Furilazole formula? |
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C11H13Cl2NO3 |
How many atoms and what elements are included in the Furilazole molecule? |
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 kind of bonds are 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 Furilazole’s molar mass? |
278.13182 g/mol |
What’s the SMILES structure of Furilazole? |
CC1(C)OC(CN1C(=O)C(Cl)Cl)c2ccco2 |
What’s the InChI code 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 format 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).