2-chloro-4,6-dimethoxybenzaldehyde

• ChemBase ID: 240835
• Molecular Formular: C9H9ClO3
• Molecular Mass: 200.61896
• Monoisotopic Mass: 200.02402183
• SMILES: c1(c(cc(cc1OC)OC)Cl)C=O
• Canonical SMILES: COc1cc(OC)cc(c1C=O)Cl
• InChI: InChI=1S/C9H9ClO3/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-5H,1-2H3
• InChIKey: WNIGZICIZZIUER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethoxybenzaldehyde
• IUPAC Traditional name: 2-chloro-4,6-dimethoxybenzaldehyde
• Synonyms: 2-chloro-4,6-dimethoxybenzaldehyde

Database IDs

• CAS Number: 82477-61-0
• MDL Number: MFCD05863686
• PubChem SID: 164296745
• PubChem CID: 3865139

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9744503
• LogD (pH = 7.4): 1.9744503
• Log P: 1.9744503
• Molar Refractivity: 50.3732 cm^3
• Polarizability: 19.204641 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.529

Product Information

• Purity: 95%