3,5-dibromo-2-fluorobenzoyl chloride

• ChemBase ID: 93405
• Molecular Formular: C7H2Br2ClFO
• Molecular Mass: 316.3495832
• Monoisotopic Mass: 313.81449458
• SMILES: ClC(=O)c1c(c(cc(c1)Br)Br)F
• Canonical SMILES: Brc1cc(Br)c(c(c1)C(=O)Cl)F
• InChI: InChI=1S/C7H2Br2ClFO/c8-3-1-4(7(10)12)6(11)5(9)2-3/h1-2H
• InChIKey: QJGWDMJYFVQSSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-fluorobenzoyl chloride
• IUPAC Traditional name: 3,5-dibromo-2-fluorobenzoyl chloride
• Synonyms: 3,5-Dibromo-2-fluorobenzoyl chloride

Database IDs

• MDL Number: MFCD03094095
• PubChem SID: 162080090
• PubChem CID: 2773973

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8443656
• LogD (pH = 7.4): 3.8443656
• Log P: 3.8443656
• Molar Refractivity: 52.6347 cm^3
• Polarizability: 20.110546 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive