(chlorodifluoromethoxy)benzene

• ChemBase ID: 281732
• Molecular Formular: C7H5ClF2O
• Molecular Mass: 178.5638064
• Monoisotopic Mass: 177.9996989
• SMILES: C(Oc1ccccc1)(F)(F)Cl
• Canonical SMILES: FC(Oc1ccccc1)(Cl)F
• InChI: InChI=1S/C7H5ClF2O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
• InChIKey: UCFJMYVFTUOACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chlorodifluoromethoxy)benzene
• IUPAC Traditional name: (chlorodifluoromethoxy)benzene
• Synonyms: (chlorodifluoromethoxy)benzene

Database IDs

• MDL Number: MFCD03412214
• PubChem SID: 180667263
• PubChem CID: 11600769

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6919467
• LogD (pH = 7.4): 3.6919467
• Log P: 3.6919467
• Molar Refractivity: 29.1283 cm^3
• Polarizability: 14.336999 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.61

Product Information

• Purity: 95%