4-fluoro-3-methylphenyl chloroformate

• ChemBase ID: 241019
• Molecular Formular: C8H6ClFO2
• Molecular Mass: 188.5834432
• Monoisotopic Mass: 188.00403533
• SMILES: C(=O)(Oc1cc(c(cc1)F)C)Cl
• Canonical SMILES: ClC(=O)Oc1ccc(c(c1)C)F
• InChI: InChI=1S/C8H6ClFO2/c1-5-4-6(12-8(9)11)2-3-7(5)10/h2-4H,1H3
• InChIKey: XFECTXXCJBOFJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methylphenyl chloroformate
• IUPAC Traditional name: 4-fluoro-3-methylphenyl chloroformate
• Synonyms: 4-fluoro-3-methylphenyl chloroformate

Database IDs

• MDL Number: MFCD08144074
• PubChem SID: 164296929
• PubChem CID: 28242275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.243357
• LogD (pH = 7.4): 3.243357
• Log P: 3.243357
• Molar Refractivity: 43.161 cm^3
• Polarizability: 16.35936 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.637

Product Information

• Purity: 95%