bicyclo[2.2.1]heptane-2-carbonyl chloride

• ChemBase ID: 266129
• Molecular Formular: C8H11ClO
• Molecular Mass: 158.62534
• Monoisotopic Mass: 158.04984265
• SMILES: C1(C(=O)Cl)C2CC(C1)CC2
• Canonical SMILES: ClC(=O)C1CC2CC1CC2
• InChI: InChI=1S/C8H11ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
• InChIKey: GDBUZLAZTFSUEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]heptane-2-carbonyl chloride
• IUPAC Traditional name: bicyclo[2.2.1]heptane-2-carbonyl chloride
• Synonyms: bicyclo[2.2.1]heptane-2-carbonyl chloride

Database IDs

• MDL Number: MFCD00037720
• PubChem SID: 164322039
• PubChem CID: 141977

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0892298
• LogD (pH = 7.4): 2.0892298
• Log P: 2.0892298
• Molar Refractivity: 40.3984 cm^3
• Polarizability: 15.961127 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.437

Product Information

• Purity: 95%