3,5-dichloro-2-(cyclopropylmethoxy)benzaldehyde

• ChemBase ID: 50083
• Molecular Formular: C11H10Cl2O2
• Molecular Mass: 245.1019
• Monoisotopic Mass: 244.00578492
• SMILES: c1(c(c(cc(c1)Cl)Cl)OCC1CC1)C=O
• Canonical SMILES: O=Cc1cc(Cl)cc(c1OCC1CC1)Cl
• InChI: InChI=1S/C11H10Cl2O2/c12-9-3-8(5-14)11(10(13)4-9)15-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: ILWCNDOTANGQQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2-(cyclopropylmethoxy)benzaldehyde
• IUPAC Traditional name: 3,5-dichloro-2-(cyclopropylmethoxy)benzaldehyde
• Synonyms: 3,5-Dichloro-2-(cyclopropylmethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD06246843
• PubChem SID: 162054846
• PubChem CID: 43560409

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5167434
• LogD (pH = 7.4): 3.5167434
• Log P: 3.5167434
• Molar Refractivity: 60.6568 cm^3
• Polarizability: 23.3563 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false