1-bromo-2-(bromomethyl)-4,5-difluorobenzene

• ChemBase ID: 97871
• Molecular Formular: C7H4Br2F2
• Molecular Mass: 285.9114664
• Monoisotopic Mass: 283.86478057
• SMILES: BrCc1c(cc(c(c1)F)F)Br
• Canonical SMILES: BrCc1cc(F)c(cc1Br)F
• InChI: InChI=1S/C7H4Br2F2/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
• InChIKey: GGZAHPYULZNIHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(bromomethyl)-4,5-difluorobenzene
• IUPAC Traditional name: 1-bromo-2-(bromomethyl)-4,5-difluorobenzene
• Synonyms: 1-Bromo-2-(bromomethyl)-4,5-difluorobenzene; alpha,2-Dibromo-4,5-difluorotoluene; 2-Bromo-4,5-difluorobenzyl bromide

Database IDs

• PubChem SID: 162105002
• PubChem CID: 21962112

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: 17.753555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Light Sensitive