Basic information
- Standard SMILES
O=C(O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1- InChIKey
GSFSCGAMIVHEFG-UHFFFAOYSA-N- Molecular formula
- C15H11F3N2O4
- Average molar mass
- 340.25 g/mol
- Monoisotopic mass
- 340.06709132
Names & identifiers
- Preferred name
- 2-Benzylamino-3-nitro-5-trifluoromethyl-benzoic acid
- IUPAC
- 2-(benzylamino)-3-nitro-5-(trifluoromethyl)benzoic acid
Names & synonyms
2-benzylamino-3-nitro-5-trifluoromethyl-benzoic acidSCHEMBL1202996
Database identifiers
- PubChem CID
- 66940709
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
4 records
Compound notes
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