2-bromo-6-chlorobenzaldehyde

• ChemBase ID: 287751
• Molecular Formular: C7H4BrClO
• Molecular Mass: 219.46306
• Monoisotopic Mass: 217.91340443
• SMILES: O=Cc1c(Cl)cccc1Br
• Canonical SMILES: O=Cc1c(Cl)cccc1Br
• InChI: InChI=1S/C7H4BrClO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
• InChIKey: NUGMENVSVAURGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chlorobenzaldehyde
• IUPAC Traditional name: 2-bromo-6-chlorobenzaldehyde
• Synonyms: 2-Bromo-6-chlorobenzaldehyde

Database IDs

• CAS Number: 64622-16-8
• PubChem SID: 180673282
• PubChem CID: 13524042

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: 17.050278 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%