2-chloro-4-ethoxy-5-methoxybenzaldehyde

• ChemBase ID: 311555
• Molecular Formular: C10H11ClO3
• Molecular Mass: 214.64554
• Monoisotopic Mass: 214.03967189
• SMILES: c1(c(cc(c(c1)OC)OCC)Cl)C=O
• Canonical SMILES: CCOc1cc(Cl)c(cc1OC)C=O
• InChI: InChI=1S/C10H11ClO3/c1-3-14-10-5-8(11)7(6-12)4-9(10)13-2/h4-6H,3H2,1-2H3
• InChIKey: YKZACVGMUVDWEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 443125-57-3
• MDL Number: MFCD02380082

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3312583
• LogD (pH = 7.4): 2.3312583
• Log P: 2.3312583
• Molar Refractivity: 55.1218 cm^3
• Polarizability: 21.02482 Å^3
• Polar Surface Area: 35.53 Å^2