4-(4-Chloro-3-cyanophenyl)-2-nitrobenzoic acid
Basic information
- CAS
1261948-33-7- Standard SMILES
N#Cc1cc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)ccc1Cl- InChIKey
PBALDONZKJKAAI-UHFFFAOYSA-N- Molecular formula
- C14H7ClN2O4
- Average molar mass
- 302.67 g/mol
- Monoisotopic mass
- 302.0094344
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-cyanophenyl)-2-nitrobenzoic acid
- IUPAC
- 4-(4-chloro-3-cyanophenyl)-2-nitrobenzoic acid
Names & synonyms
1261948-33-74-(4-CHLORO-3-CYANOPHENYL)-2-NITROBENZOIC ACIDMFCD18321308DTXSID806907864-(4-chloro-3-cyano-phenyl)-2-nitro-benzoic acid4-(4-Chloro-3-cyanophenyl)-2-nitrobenzoic acid, 95%4'-Chloro-3'-cyano-3-nitro[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1261948-33-7- PubChem CID
- 53227199
- DTXSID
DTXSID80690786
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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