3-bromo-5-chloro-4-ethoxybenzaldehyde

• ChemBase ID: 311541
• Molecular Formular: C9H8BrClO2
• Molecular Mass: 263.51562
• Monoisotopic Mass: 261.93961918
• SMILES: c1(c(cc(cc1Br)C=O)Cl)OCC
• Canonical SMILES: CCOc1c(Cl)cc(cc1Br)C=O
• InChI: InChI=1S/C9H8BrClO2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3
• InChIKey: BDNBQEWANMSSCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloro-4-ethoxybenzaldehyde
• IUPAC Traditional name: 3-bromo-5-chloro-4-ethoxybenzaldehyde
• Synonyms: 3-bromo-5-chloro-4-ethoxybenzaldehyde

Database IDs

• CAS Number: 884497-58-9
• MDL Number: MFCD05863698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.257682
• LogD (pH = 7.4): 3.257682
• Log P: 3.257682
• Molar Refractivity: 56.2814 cm^3
• Polarizability: 21.42554 Å^3
• Polar Surface Area: 26.3 Å^2