1,4-dichloro-2-[difluoro(phenyl)methyl]benzene

• ChemBase ID: 32093
• Molecular Formular: C13H8Cl2F2
• Molecular Mass: 273.1054264
• Monoisotopic Mass: 271.99711206
• SMILES: FC(F)(c1ccccc1)c1c(Cl)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(c1ccccc1)(F)F)Cl
• InChI: InChI=1S/C13H8Cl2F2/c14-10-6-7-12(15)11(8-10)13(16,17)9-4-2-1-3-5-9/h1-8H
• InChIKey: HBOQAJVHNVMPJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2-[difluoro(phenyl)methyl]benzene
• IUPAC Traditional name: 1,4-dichloro-2-[difluoro(phenyl)methyl]benzene
• Synonyms: 1,4-Dichloro-2-(difluorophenylmethyl)benzene

Database IDs

• MDL Number: MFCD11845805
• PubChem SID: 160995400
• PubChem CID: 45790678

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5292034
• LogD (pH = 7.4): 5.5292034
• Log P: 5.5292034
• Molar Refractivity: 65.4718 cm^3
• Polarizability: 24.957779 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%