Molecule ID: 17553

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

Description: The molecule is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by iodo, hydroxy and nitro groups at positions 3, 4 and 5 respectively. It has a role as an antigen. It is an organoiodine compound, a member of 2-nitrophenols and a member of phenylacetic acids. It is a conjugate acid of a (4-hydroxy-5-iodo-3-nitrophenyl)acetate.

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

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

InChI: InChI=1S/C8H6INO5/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