Butyl chloro(fluoro)nitroacetate
Basic information
- CAS
2414-02-0- Standard SMILES
CCCCOC(=O)C(F)(Cl)[N+](=O)[O-]- InChIKey
OREZLWISHHKMKZ-UHFFFAOYSA-N- Molecular formula
- C6H9ClFNO4
- Average molar mass
- 213.59 g/mol
- Monoisotopic mass
- 213.0204136
Names & identifiers
- Preferred name
- Butyl chloro(fluoro)nitroacetate
- IUPAC
- butyl 2-chloro-2-fluoro-2-nitroacetate
Names & synonyms
2414-02-0butyl chloro(fluoro)nitroacetateDTXSID40946958RefChem:1080382DTXCID601375228Butyl chlorofluoronitroacetateBRN 1872144Acetic acid, chlorofluoronitro-, butyl esterButyl chloro(fluoro)(nitro)acetate
Database identifiers
- CAS
2414-02-0- PubChem CID
- 200640
- DTXSID
DTXSID40946958
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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