2-bromo-4-methoxybenzaldehyde

• ChemBase ID: 68778
• Molecular Formular: C8H7BrO2
• Molecular Mass: 215.04398
• Monoisotopic Mass: 213.96294146
• SMILES: C(=O)c1c(cc(cc1)OC)Br
• Canonical SMILES: COc1ccc(c(c1)Br)C=O
• InChI: InChI=1S/C8H7BrO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
• InChIKey: ODISAUHBLBVQKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-methoxybenzaldehyde
• IUPAC Traditional name: 2-bromo-4-methoxybenzaldehyde
• Synonyms: 2-Bromo-4-methoxybenzaldehyde

Database IDs

• CAS Number: 43192-31-0
• MDL Number: MFCD09788636
• PubChem SID: 162034508
• PubChem CID: 11127641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2968295
• LogD (pH = 7.4): 2.2968295
• Log P: 2.2968295
• Molar Refractivity: 46.728 cm^3
• Polarizability: 17.617783 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%