Molecule ID: 56927727

IUPAC Name: 2-(3-bromo-4-hydroxy-5-nitrophenyl)acetic acid

Description: The molecule is a member of the class of phenylacetic acids in which the phenyl group is substituted by bromo, hydroxy, and nitro groups at position 3, 4, and 5 respectively. It is a member of 2-nitrophenols, a member of bromobenzenes and a member of phenylacetic acids.

SMILES: O=C(O)Cc1cc(Br)c(O)c([N+](=O)[O-])c1

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

InChI: InChI=1S/C8H6BrNO5/c9-5-1-4(3-7(11)12)2-6(8(5)13)10(14)15/h1-2,13H,3H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 2.1