Molecule ID: 27767

IUPAC Name: 7-(bromomethyl)-12-methylbenzo[a]anthracene

Description: The molecule is a member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively. It has a role as a mutagen. It is a member of tetraphenes and an organobromine compound. It derives from a hydride of a tetraphene.

SMILES: Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12

SELFIES: [C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C20H15Br/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 6.0