2-chloro-5-ethoxy-4-propoxybenzaldehyde

• ChemBase ID: 311972
• Molecular Formular: C12H15ClO3
• Molecular Mass: 242.6987
• Monoisotopic Mass: 242.07097202
• SMILES: c1(c(cc(c(c1)OCC)OCCC)Cl)C=O
• Canonical SMILES: CCCOc1cc(Cl)c(cc1OCC)C=O
• InChI: InChI=1S/C12H15ClO3/c1-3-5-16-12-7-10(13)9(8-14)6-11(12)15-4-2/h6-8H,3-5H2,1-2H3
• InChIKey: OLFTWSQNSHXMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethoxy-4-propoxybenzaldehyde
• IUPAC Traditional name: 2-chloro-5-ethoxy-4-propoxybenzaldehyde
• Synonyms: 2-chloro-5-ethoxy-4-propoxybenzaldehyde

Database IDs

• CAS Number: 692275-23-3
• MDL Number: MFCD02379992

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2105887
• LogD (pH = 7.4): 3.2105887
• Log P: 3.2105887
• Molar Refractivity: 64.3944 cm^3
• Polarizability: 24.687569 Å^3
• Polar Surface Area: 35.53 Å^2