3,5-dichloro-4-(propan-2-yloxy)benzaldehyde

• ChemBase ID: 311984
• Molecular Formular: C10H10Cl2O2
• Molecular Mass: 233.0912
• Monoisotopic Mass: 232.00578492
• SMILES: c1(c(cc(cc1Cl)C=O)Cl)OC(C)C
• Canonical SMILES: O=Cc1cc(Cl)c(c(c1)Cl)OC(C)C
• InChI: InChI=1S/C10H10Cl2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3
• InChIKey: ZSUPYLWHFXVVDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-(propan-2-yloxy)benzaldehyde
• IUPAC Traditional name: 3,5-dichloro-4-isopropoxybenzaldehyde
• Synonyms: 3,5-dichloro-4-isopropoxybenzaldehyde

Database IDs

• CAS Number: 692281-56-4
• MDL Number: MFCD03722522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5095491
• LogD (pH = 7.4): 3.5095491
• Log P: 3.5095491
• Molar Refractivity: 57.8822 cm^3
• Polarizability: 22.262985 Å^3
• Polar Surface Area: 26.3 Å^2