2-bromo-1-(bromomethyl)-3-fluorobenzene

• ChemBase ID: 99304
• Molecular Formular: C7H5Br2F
• Molecular Mass: 267.9210032
• Monoisotopic Mass: 265.87420238
• SMILES: BrCc1c(c(ccc1)F)Br
• Canonical SMILES: BrCc1cccc(c1Br)F
• InChI: InChI=1S/C7H5Br2F/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
• InChIKey: ZJSRIMJDFLFPJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-(bromomethyl)-3-fluorobenzene
• IUPAC Traditional name: 2-bromo-1-(bromomethyl)-3-fluorobenzene
• Synonyms: 2-Bromo-1-(bromomethyl)-3-fluorobenzene; 2-Bromo-3-fluorobenzyl bromide

Database IDs

• PubChem SID: 162105294
• PubChem CID: 44181799

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6574378
• LogD (pH = 7.4): 3.6574378
• Log P: 3.6574378
• Molar Refractivity: 46.7476 cm^3
• Polarizability: 17.79621 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive