5-chloro-3-methoxy-2-propoxybenzaldehyde

• ChemBase ID: 311981
• Molecular Formular: C11H13ClO3
• Molecular Mass: 228.67212
• Monoisotopic Mass: 228.05532196
• SMILES: c1(c(c(cc(c1)Cl)OC)OCCC)C=O
• Canonical SMILES: CCCOc1c(OC)cc(cc1C=O)Cl
• InChI: InChI=1S/C11H13ClO3/c1-3-4-15-11-8(7-13)5-9(12)6-10(11)14-2/h5-7H,3-4H2,1-2H3
• InChIKey: ZBGLATICPAWALQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-methoxy-2-propoxybenzaldehyde
• IUPAC Traditional name: 5-chloro-3-methoxy-2-propoxybenzaldehyde
• Synonyms: 5-chloro-3-methoxy-2-propoxybenzaldehyde

Database IDs

• CAS Number: 828272-37-3
• MDL Number: MFCD04129571

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8537807
• LogD (pH = 7.4): 2.8537807
• Log P: 2.8537807
• Molar Refractivity: 59.6458 cm^3
• Polarizability: 22.84342 Å^3
• Polar Surface Area: 35.53 Å^2