2-bromo-6-fluorobenzoyl chloride

• ChemBase ID: 179969
• Molecular Formular: C7H3BrClFO
• Molecular Mass: 237.4535232
• Monoisotopic Mass: 235.90398262
• SMILES: C(=O)(c1c(cccc1F)Br)Cl
• Canonical SMILES: ClC(=O)c1c(F)cccc1Br
• InChI: InChI=1S/C7H3BrClFO/c8-4-2-1-3-5(10)6(4)7(9)11/h1-3H
• InChIKey: ZQOQNOOLDFFUDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-fluorobenzoyl chloride
• IUPAC Traditional name: 2-bromo-6-fluorobenzoyl chloride
• Synonyms: 2-Bromo-6-fluorobenzoyl chloride

Database IDs

• CAS Number: 1020718-20-0
• PubChem SID: 164235879
• PubChem CID: 26343906

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.075613
• LogD (pH = 7.4): 3.075613
• Log P: 3.075613
• Molar Refractivity: 45.0119 cm^3
• Polarizability: 16.915894 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true