cyclohexyl chloroformate

• ChemBase ID: 287156
• Molecular Formular: C7H11ClO2
• Molecular Mass: 162.61404
• Monoisotopic Mass: 162.04475727
• SMILES: O=C(Cl)OC1CCCCC1
• Canonical SMILES: ClC(=O)OC1CCCCC1
• InChI: InChI=1S/C7H11ClO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: IWVJLGPDBXCTDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl chloroformate
• IUPAC Traditional name: cyclohexyl chloroformate
• Synonyms: Cyclohexyl carbonochloridate

Database IDs

• CAS Number: 13248-54-9
• MDL Number: MFCD00035802
• PubChem SID: 180672687
• PubChem CID: 83262

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7285457
• LogD (pH = 7.4): 2.7285457
• Log P: 2.7285457
• Molar Refractivity: 39.14 cm^3
• Polarizability: 15.595059 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%