Molecule ID: 7961

IUPAC Name: bromobenzene

Description: The molecule is the simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. -30鈩? b.p.760 156鈩?, it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis. It has a role as a non-polar solvent, a hepatotoxic agent and a mouse metabolite. It is a member of bromobenzenes, a bromoarene and a volatile organic compound.

SMILES: Brc1ccccc1

SELFIES: [Br][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 3.0