[(2,2-dichlorocyclopropyl)methyl]benzene

• ChemBase ID: 85287
• Molecular Formular: C10H10Cl2
• Molecular Mass: 201.0924
• Monoisotopic Mass: 200.01595568
• SMILES: ClC1(C(C1)Cc1ccccc1)Cl
• Canonical SMILES: ClC1(Cl)CC1Cc1ccccc1
• InChI: InChI=1S/C10H10Cl2/c11-10(12)7-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
• InChIKey: DGWQDTVVILBZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dichlorocyclopropyl)methyl]benzene
• IUPAC Traditional name: [(2,2-dichlorocyclopropyl)methyl]benzene
• Synonyms: 1-[(2,2-dichlorocyclopropyl)methyl]benzene; ((2,2-dichlorocyclopropyl)methyl)benzene

Database IDs

• MDL Number: MFCD00778547
• PubChem SID: 162072403
• PubChem CID: 524149

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7451127
• LogD (pH = 7.4): 3.7451127
• Log P: 3.7451127
• Molar Refractivity: 53.3482 cm^3
• Polarizability: 20.540798 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true