2-bromo-4,5-difluorobenzoyl chloride

• ChemBase ID: 93761
• Molecular Formular: C7H2BrClF2O
• Molecular Mass: 255.4439864
• Monoisotopic Mass: 253.8945608
• SMILES: ClC(=O)c1c(cc(c(c1)F)F)Br
• Canonical SMILES: ClC(=O)c1cc(F)c(cc1Br)F
• InChI: InChI=1S/C7H2BrClF2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
• InChIKey: UFZYNSSKIDMEDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,5-difluorobenzoyl chloride
• IUPAC Traditional name: 2-bromo-4,5-difluorobenzoyl chloride
• Synonyms: 2-Bromo-4,5-difluorobenzoyl chloride

Database IDs

• MDL Number: MFCD07368698
• PubChem SID: 162080427
• PubChem CID: 2783294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.218315
• LogD (pH = 7.4): 3.218315
• Log P: 3.218315
• Molar Refractivity: 45.2283 cm^3
• Polarizability: 16.850363 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive