3,5-dichloro-4-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 311552
• Molecular Formular: C10H8Cl2O2
• Molecular Mass: 231.07532
• Monoisotopic Mass: 229.99013486
• SMILES: c1(c(cc(cc1Cl)C=O)Cl)OCC=C
• Canonical SMILES: C=CCOc1c(Cl)cc(cc1Cl)C=O
• InChI: InChI=1S/C10H8Cl2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h2,4-6H,1,3H2
• InChIKey: CJJQJAJJMMBMJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 3,5-dichloro-4-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 4-(allyloxy)-3,5-dichlorobenzaldehyde

Database IDs

• CAS Number: 27164-07-4
• MDL Number: MFCD02604833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.467416
• LogD (pH = 7.4): 3.467416
• Log P: 3.467416
• Molar Refractivity: 57.8775 cm^3
• Polarizability: 22.013964 Å^3
• Polar Surface Area: 26.3 Å^2