2,2-dichloro-1-phenylcyclopropane-1-carbaldehyde

• ChemBase ID: 17969
• Molecular Formular: C10H8Cl2O
• Molecular Mass: 215.07592
• Monoisotopic Mass: 213.99522024
• SMILES: C1(C(C1)(Cl)Cl)(c1ccccc1)C=O
• Canonical SMILES: O=CC1(CC1(Cl)Cl)c1ccccc1
• InChI: InChI=1S/C10H8Cl2O/c11-10(12)6-9(10,7-13)8-4-2-1-3-5-8/h1-5,7H,6H2
• InChIKey: JZEJRRIDBYKNGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-1-phenylcyclopropane-1-carbaldehyde
• IUPAC Traditional name: 2,2-dichloro-1-phenylcyclopropane-1-carbaldehyde
• Synonyms: 2,2-Dichloro-1-phenyl-cyclopropanecarbaldehyde

Database IDs

• MDL Number: MFCD07791447
• PubChem SID: 160981276
• PubChem CID: 11117417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.825972
• LogD (pH = 7.4): 2.825972
• Log P: 2.825972
• Molar Refractivity: 53.8819 cm^3
• Polarizability: 20.723713 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false