2-chloroadamantane

• ChemBase ID: 295676
• Molecular Formular: C10H15Cl
• Molecular Mass: 170.6791
• Monoisotopic Mass: 170.08622816
• SMILES: C1C2CC3CC1CC(C2)C3Cl
• Canonical SMILES: ClC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H15Cl/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
• InChIKey: DPCLLPAHJSYBTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroadamantane
• IUPAC Traditional name: 2-chloroadamantane
• Synonyms: 2-Chloroadamantane; 2-氯金刚烷

Database IDs

• CAS Number: 7346-41-0
• EC Number: 230-868-8
• MDL Number: MFCD00075643
• PubChem SID: 180681207
• PubChem CID: 123251

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0118175
• LogD (pH = 7.4): 3.0118175
• Log P: 3.0118175
• Molar Refractivity: 46.7625 cm^3
• Polarizability: 18.77655 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%