Molecule ID: 16760207

IUPAC Name: 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

Description: The molecule is the anion formed by deprotonating bromfenac at the carboxyl proton. It is a monocarboxylic acid anion, an organobromine compound, a member of benzophenones and an aromatic amino-acid anion. It is a conjugate base of a bromfenac.

SMILES: Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1

SELFIES: [N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 83.2 Ų
- LogP: 3.9