Molecule ID: 5282258

IUPAC Name: (Z)-3-bromohept-2-enoic acid

Description: The molecule is a hept-2-enoic acid carrying a bromo- substituent at C-3. It is a monounsaturated fatty acid, a 2-heptenoic acid and a bromo fatty acid. It derives from an (E)-hept-2-enoic acid.

SMILES: CCCC/C(Br)=C/C(=O)O

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

InChI: InChI=1S/C7H11BrO2/c1-2-3-4-6(8)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.4