2-chloro-6-phenoxybenzaldehyde

• ChemBase ID: 245223
• Molecular Formular: C13H9ClO2
• Molecular Mass: 232.66236
• Monoisotopic Mass: 232.02910721
• SMILES: c1(c(Oc2ccccc2)cccc1Cl)C=O
• Canonical SMILES: O=Cc1c(cccc1Cl)Oc1ccccc1
• InChI: InChI=1S/C13H9ClO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H
• InChIKey: WCNLFBTYIWVHHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-phenoxybenzaldehyde
• IUPAC Traditional name: 2-chloro-6-phenoxybenzaldehyde
• Synonyms: 2-chloro-6-phenoxybenzaldehyde

Database IDs

• MDL Number: MFCD11156489
• PubChem SID: 164301133
• PubChem CID: 18663602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.79008
• LogD (pH = 7.4): 3.79008
• Log P: 3.79008
• Molar Refractivity: 63.6876 cm^3
• Polarizability: 24.430468 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.429

Product Information

• Purity: 95%