4-(3,5-dichlorophenoxy)benzaldehyde

• ChemBase ID: 264183
• Molecular Formular: C13H8Cl2O2
• Molecular Mass: 267.10742
• Monoisotopic Mass: 265.99013486
• SMILES: c1(cc(cc(c1)Cl)Cl)Oc1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)Oc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-9(8-16)2-4-12/h1-8H
• InChIKey: YBZDGGHCOBODKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dichlorophenoxy)benzaldehyde
• IUPAC Traditional name: 4-(3,5-dichlorophenoxy)benzaldehyde
• Synonyms: 4-(3,5-dichlorophenoxy)benzaldehyde

Database IDs

• MDL Number: MFCD09026273
• PubChem SID: 164320093
• PubChem CID: 16244087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3941245
• LogD (pH = 7.4): 4.3941245
• Log P: 4.3941245
• Molar Refractivity: 68.4924 cm^3
• Polarizability: 26.31113 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.019

Product Information

• Purity: 95%