Basic information
- Standard SMILES
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1Cl- InChIKey
FLJRTVBTFPAJSF-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO4
- Average molar mass
- 277.66 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-4'-nitrobiphenyl-4-carboxylic acid
- IUPAC
- 2-chloro-4-(4-nitrophenyl)benzoic acid
Names & synonyms
SCHEMBL1761340FLJRTVBTFPAJSF-UHFFFAOYSA-N3-chloro-4'-nitrobiphenyl-4-carboxylic acid
Database identifiers
- PubChem CID
- 59385331
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
4 records
Compound notes
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