3,4-dichlorobicyclo[3.2.1]oct-2-ene

• ChemBase ID: 125349
• Molecular Formular: C8H10Cl2
• Molecular Mass: 177.071
• Monoisotopic Mass: 176.01595568
• SMILES: ClC1C2CCC(C2)C=C1Cl
• Canonical SMILES: ClC1=CC2CCC(C1Cl)C2
• InChI: InChI=1S/C8H10Cl2/c9-7-4-5-1-2-6(3-5)8(7)10/h4-6,8H,1-3H2
• InChIKey: RQQXREWCMYDFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichlorobicyclo[3.2.1]oct-2-ene
• IUPAC Systematic name: 3,4-Dichlorobicyclo[3.2.1]oct-2-ene
• IUPAC Traditional name: 3,4-dichlorobicyclo[3.2.1]oct-2-ene
• Synonyms: 3,4-Dichlorobicyclo(3.2.1)oct-2-ene

Database IDs

• PubChem SID: 162219699
• PubChem CID: 287989
• Chemspider ID: 253970
• Wikipedia Title: 3,4-Dichlorobicyclo(3.2.1)oct-2-ene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8543003
• LogD (pH = 7.4): 2.8543003
• Log P: 2.8543003
• Molar Refractivity: 45.2233 cm^3
• Polarizability: 17.44184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true