Molecule ID: 82145

IUPAC Name: 2-bromohexadecanoic acid

Description: The molecule is a bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. It has a role as a fatty acid oxidation inhibitor. It is a bromo fatty acid, a straight-chain fatty acid, a long-chain fatty acid and a 2-bromocarboxylic acid. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCCC(Br)C(=O)O

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

InChI: InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 7.8