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

• ChemBase ID: 812304
• Molecular Formular: C7H4Br2F2
• Molecular Mass: 285.9114664
• Monoisotopic Mass: 283.86478057
• SMILES: C(c1c(c(cc(c1)Br)F)F)Br
• Canonical SMILES: BrCc1cc(Br)cc(c1F)F
• InChI: InChI=1S/C7H4Br2F2/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
• InChIKey: XTJJKFPJSVLAMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8001397
• LogD (pH = 7.4): 3.8001397
• Log P: 3.8001397
• Molar Refractivity: 46.964 cm^3
• Polarizability: 17.752821 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%