9,9-dichlorobicyclo[6.1.0]nonane

• ChemBase ID: 85327
• Molecular Formular: C9H14Cl2
• Molecular Mass: 193.11346
• Monoisotopic Mass: 192.04725581
• SMILES: ClC1(C2C1CCCCCC2)Cl
• Canonical SMILES: ClC1(Cl)C2C1CCCCCC2
• InChI: InChI=1S/C9H14Cl2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h7-8H,1-6H2
• InChIKey: PAGIOBTVNAWNLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dichlorobicyclo[6.1.0]nonane
• IUPAC Traditional name: 9,9-dichlorobicyclo[6.1.0]nonane
• Synonyms: 9,9-dichlorobicyclo[6.1.0]nonane

Database IDs

• MDL Number: MFCD01571055
• PubChem SID: 162072443
• PubChem CID: 289750

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9606125
• LogD (pH = 7.4): 3.9606125
• Log P: 3.9606125
• Molar Refractivity: 49.6704 cm^3
• Polarizability: 19.521145 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true