bicyclo[2.2.1]heptane-2-sulfonyl chloride

• ChemBase ID: 235427
• Molecular Formular: C7H11ClO2S
• Molecular Mass: 194.67904
• Monoisotopic Mass: 194.01682827
• SMILES: S(=O)(=O)(C1C2CC(C1)CC2)Cl
• Canonical SMILES: ClS(=O)(=O)C1CC2CC1CC2
• InChI: InChI=1S/C7H11ClO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
• InChIKey: LUQXFQXMGLMKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16671713
• PubChem SID: 164291337
• PubChem CID: 62084553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.652369
• LogD (pH = 7.4): 1.652369
• Log P: 1.652369
• Molar Refractivity: 43.982 cm^3
• Polarizability: 18.314814 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.973

Product Information

• Purity: 95%