1-(chloromethyl)-2,3-difluorobenzene

• ChemBase ID: 294116
• Molecular Formular: C7H5ClF2
• Molecular Mass: 162.5644064
• Monoisotopic Mass: 162.00478428
• SMILES: Fc1c(F)c(CCl)ccc1
• Canonical SMILES: ClCc1cccc(c1F)F
• InChI: InChI=1S/C7H5ClF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
• InChIKey: OVUKQQRPTLPXTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-2,3-difluorobenzene
• IUPAC Traditional name: 1-(chloromethyl)-2,3-difluorobenzene
• Synonyms: 1-(Chloromethyl)-2,3-difluorobenzene; 2,3-DIFLUOROBENZYL CHLORIDE

Database IDs

• CAS Number: 446-57-1
• PubChem SID: 180679647
• PubChem CID: 15850139

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8458917
• LogD (pH = 7.4): 2.8458917
• Log P: 2.8458917
• Molar Refractivity: 36.3577 cm^3
• Polarizability: 13.473661 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%