2-bromo-3-chlorobenzaldehyde

• ChemBase ID: 69346
• Molecular Formular: C7H4BrClO
• Molecular Mass: 219.46306
• Monoisotopic Mass: 217.91340443
• SMILES: C(=O)c1c(c(ccc1)Cl)Br
• Canonical SMILES: O=Cc1cccc(c1Br)Cl
• InChI: InChI=1S/C7H4BrClO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
• InChIKey: VEJPLARLFWIYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chlorobenzaldehyde
• IUPAC Traditional name: 2-bromo-3-chlorobenzaldehyde
• Synonyms: 2-Bromo-3-chlorobenzaldehyde

Database IDs

• CAS Number: 74073-40-8
• MDL Number: MFCD10699536
• PubChem SID: 162035072
• PubChem CID: 23463927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0585454
• LogD (pH = 7.4): 3.0585454
• Log P: 3.0585454
• Molar Refractivity: 45.0696 cm^3
• Polarizability: 17.05217 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%