2-bromo-5-chlorobenzoyl chloride

• ChemBase ID: 90368
• Molecular Formular: C7H3BrCl2O
• Molecular Mass: 253.90812
• Monoisotopic Mass: 251.87443208
• SMILES: O=C(c1c(ccc(c1)Cl)Br)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)Cl)Br
• InChI: InChI=1S/C7H3BrCl2O/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H
• InChIKey: BNQXSFFVGRPZIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chlorobenzoyl chloride
• IUPAC Traditional name: 2-bromo-5-chlorobenzoyl chloride
• Synonyms: 2-Bromo-5-chlorobenzoyl chloride

Database IDs

• PubChem SID: 162104772
• PubChem CID: 20535425

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5369556
• LogD (pH = 7.4): 3.5369556
• Log P: 3.5369556
• Molar Refractivity: 49.6003 cm^3
• Polarizability: 19.015743 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive