[(E)-2-chloro-1,2-difluoroethenyl]benzene

• ChemBase ID: 281714
• Molecular Formular: C8H5ClF2
• Molecular Mass: 174.5751064
• Monoisotopic Mass: 174.00478428
• SMILES: C(=C(\Cl)/F)(\c1ccccc1)/F
• Canonical SMILES: F/C(=C(/Cl)\F)/c1ccccc1
• InChI: InChI=1S/C8H5ClF2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5H/b8-7-
• InChIKey: BXYQLGANHPPHPS-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(E)-2-chloro-1,2-difluoroethenyl]benzene
• IUPAC Traditional name: [(E)-2-chloro-1,2-difluoroethenyl]benzene
• Synonyms: [(E)-2-chloro-1,2-difluoroethenyl]benzene

Database IDs

• MDL Number: MFCD01074360
• PubChem SID: 180667245
• PubChem CID: 12566928

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8694074
• LogD (pH = 7.4): 2.8694074
• Log P: 2.8694074
• Molar Refractivity: 51.6367 cm^3
• Polarizability: 15.185445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.375

Product Information

• Purity: 95%