1,2-dichlorocyclopentane

• ChemBase ID: 106947
• Molecular Formular: C5H8Cl2
• Molecular Mass: 139.02302
• Monoisotopic Mass: 138.00030562
• SMILES: ClC1CCCC1Cl
• Canonical SMILES: ClC1CCCC1Cl
• InChI: InChI=1S/C5H8Cl2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2
• InChIKey: QPIRTTQWLDPXBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichlorocyclopentane
• IUPAC Traditional name: 1,2-dichlorocyclopentane
• Synonyms: 1,2-DICHLOROCYCLOPENTANE

Database IDs

• CAS Number: 31025-65-7
• PubChem SID: 162089100
• PubChem CID: 139749

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4704049
• LogD (pH = 7.4): 2.4704049
• Log P: 2.4704049
• Molar Refractivity: 32.138 cm^3
• Polarizability: 12.911371 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201988

MP Biomedicals Rare Chemical collection