5-bromo-1-(chloromethyl)-2,3-difluorobenzene

• ChemBase ID: 812303
• Molecular Formular: C7H4BrClF2
• Molecular Mass: 241.4604664
• Monoisotopic Mass: 239.91529625
• SMILES: C(c1c(c(cc(c1)Br)F)F)Cl
• Canonical SMILES: ClCc1cc(Br)cc(c1F)F
• InChI: InChI=1S/C7H4BrClF2/c8-5-1-4(3-9)7(11)6(10)2-5/h1-2H,3H2
• InChIKey: KKFGOUHIFRFJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-1-(chloromethyl)-2,3-difluorobenzene
• IUPAC Traditional name: 5-bromo-1-(chloromethyl)-2,3-difluorobenzene
• Synonyms: 5-BROMO-2,3-DIFLUOROBENZYL CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6146443
• LogD (pH = 7.4): 3.6146443
• Log P: 3.6146443
• Molar Refractivity: 43.9805 cm^3
• Polarizability: 16.596336 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%