1,1-dichloro-2,3-bis(chloromethyl)cyclopropane

• ChemBase ID: 81167
• Molecular Formular: C5H6Cl4
• Molecular Mass: 207.91314
• Monoisotopic Mass: 205.92236091
• SMILES: ClC1(C(C1CCl)CCl)Cl
• Canonical SMILES: ClCC1C(C1(Cl)Cl)CCl
• InChI: InChI=1S/C5H6Cl4/c6-1-3-4(2-7)5(3,8)9/h3-4H,1-2H2
• InChIKey: XOTCLDWXPXVFHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2,3-bis(chloromethyl)cyclopropane
• IUPAC Traditional name: 1,1-dichloro-2,3-bis(chloromethyl)cyclopropane
• Synonyms: 1,1-dichloro-2,3-di(chloromethyl)cyclopropane

Database IDs

• MDL Number: MFCD00120716
• PubChem SID: 162068286
• PubChem CID: 2777010

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0040483
• LogD (pH = 7.4): 3.0040483
• Log P: 3.0040483
• Molar Refractivity: 42.3064 cm^3
• Polarizability: 16.775507 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true