4-Cyano-2-nitrophenyl acetate
Basic information
- CAS
111318-35-5- Standard SMILES
CC(=O)Oc1ccc(C#N)cc1[N+](=O)[O-]- InChIKey
HVEBVXRXNJEDSX-UHFFFAOYSA-N- Molecular formula
- C9H6N2O4
- Average molar mass
- 206.15 g/mol
- Monoisotopic mass
- 206.03275668
Names & identifiers
- Preferred name
- 4-Cyano-2-nitrophenyl acetate
- IUPAC
- (4-cyano-2-nitrophenyl) acetate
- English name
- Acetic acid 4-cyano-2-nitro-phenyl ester
- Molecular formula
- C9H6N2O4
- Molecular weight
- 206.15494
Names & synonyms
(4-cyano-2-nitro-phenyl) Acetate111318-35-54-CYANO-2-NITROPHENYL ACETATE(4-cyano-2-nitrophenyl) acetateSCHEMBL9845846DTXSID90912108AKOS017342901AKOS025396848Benzonitrile, 4-(acetyloxy)-3-nitro-Acetic acid 4-cyano-2-nitro-phenyl ester
Database identifiers
- CAS
111318-35-5- PubChem CID
- 183248
- DTXSID
DTXSID90912108- Nikkaji
- J468.803A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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