Molecule ID: 6259

IUPAC Name: 2-bromo-1-phenylethanone

Description: The molecule is an alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. It has a role as a metabolite. It is an alpha-bromoketone and a member of acetophenones.

SMILES: O=C(CBr)c1ccccc1

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

InChI: InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.5