Basic information
- Standard SMILES
Cc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)O- InChIKey
CGNGITCXQSLBHN-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 3-Methyl-4'-nitrobiphenyl-4-carboxylic acid
- IUPAC
- 2-methyl-4-(4-nitrophenyl)benzoic acid
Names & synonyms
SCHEMBL1761421CGNGITCXQSLBHN-UHFFFAOYSA-N3-methyl-4'-nitrobiphenyl-4-carboxylic acid
Database identifiers
- PubChem CID
- 59385288
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 344
Related reactions
4 records
Compound notes
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