3-bromo-4-propoxybenzaldehyde

• ChemBase ID: 312002
• Molecular Formular: C10H11BrO2
• Molecular Mass: 243.09714
• Monoisotopic Mass: 241.99424159
• SMILES: c1(c(ccc(c1)C=O)OCCC)Br
• Canonical SMILES: CCCOc1ccc(cc1Br)C=O
• InChI: InChI=1S/C10H11BrO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6-7H,2,5H2,1H3
• InChIKey: HDCNBZVVXWZSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-propoxybenzaldehyde
• IUPAC Traditional name: 3-bromo-4-propoxybenzaldehyde
• Synonyms: 3-bromo-4-propoxybenzaldehyde

Database IDs

• CAS Number: 865138-64-3
• MDL Number: MFCD07432497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1761599
• LogD (pH = 7.4): 3.1761599
• Log P: 3.1761599
• Molar Refractivity: 56.0006 cm^3
• Polarizability: 21.242357 Å^3
• Polar Surface Area: 26.3 Å^2