3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde

• ChemBase ID: 311795
• Molecular Formular: C14H10Cl2O2
• Molecular Mass: 281.134
• Monoisotopic Mass: 280.00578492
• SMILES: c1(c(OCc2ccc(Cl)cc2)ccc(c1)C=O)Cl
• Canonical SMILES: O=Cc1ccc(c(c1)Cl)OCc1ccc(cc1)Cl
• InChI: InChI=1S/C14H10Cl2O2/c15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16/h1-8H,9H2
• InChIKey: SWZYOOKGHIPTBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
• Synonyms: 3-chloro-4-[(4-chlorobenzyl)oxy]benzaldehyde

Database IDs

• CAS Number: 443124-79-6
• MDL Number: MFCD03030765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4606395
• LogD (pH = 7.4): 4.4606395
• Log P: 4.4606395
• Molar Refractivity: 73.3274 cm^3
• Polarizability: 28.096006 Å^3
• Polar Surface Area: 26.3 Å^2