2,5-dichloro-4-methoxybenzaldehyde

• ChemBase ID: 242864
• Molecular Formular: C8H6Cl2O2
• Molecular Mass: 205.03804
• Monoisotopic Mass: 203.97448479
• SMILES: c1(c(cc(c(c1)Cl)OC)Cl)C=O
• Canonical SMILES: COc1cc(Cl)c(cc1Cl)C=O
• InChI: InChI=1S/C8H6Cl2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
• InChIKey: JUFGYSCJWDURGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methoxybenzaldehyde
• IUPAC Traditional name: 2,5-dichloro-4-methoxybenzaldehyde
• Synonyms: 2,5-dichloro-4-methoxybenzaldehyde

Database IDs

• MDL Number: MFCD13192728
• PubChem SID: 164298774
• PubChem CID: 71695551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7361662
• LogD (pH = 7.4): 2.7361662
• Log P: 2.7361662
• Molar Refractivity: 48.7148 cm^3
• Polarizability: 18.605658 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.025

Product Information

• Purity: 95%