Molecule ID: 15531

IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile

Description: The molecule is a dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of phenols, a dibromobenzene and a hydroxynitrile. It derives from a 2,6-dibromophenol. It is a conjugate acid of a 3,5-dibromo-4-oxidobenzonitrile(1-).

SMILES: N#Cc1cc(Br)c(O)c(Br)c1

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

InChI: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Molecular Properties:
- Polar Surface Area: 44.0 Ų
- LogP: 3.5