Molecule ID: 24721014

IUPAC Name: 4-bromo-1-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

Description: The molecule is a 1-hydroxyanthraquinone compound having a carboxy substituent at the 2-position and a bromo substituent at the 4-position. It is an organobromine compound, a monocarboxylic acid and a monohydroxyanthraquinone.

SMILES: O=C(O)c1cc(Br)c2c(c1O)C(=O)c1ccccc1C2=O

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

InChI: InChI=1S/C15H7BrO5/c16-9-5-8(15(20)21)14(19)11-10(9)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,19H,(H,20,21)

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 3.3