1-chloroethyl methyl carbonate

• ChemBase ID: 249142
• Molecular Formular: C4H7ClO3
• Molecular Mass: 138.54958
• Monoisotopic Mass: 138.00837176
• SMILES: C(=O)(OC(Cl)C)OC
• Canonical SMILES: COC(=O)OC(Cl)C
• InChI: InChI=1S/C4H7ClO3/c1-3(5)8-4(6)7-2/h3H,1-2H3
• InChIKey: CERXDWLUWLFFEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloroethyl methyl carbonate
• IUPAC Traditional name: 1-chloroethyl methyl carbonate
• Synonyms: 1-chloroethyl methyl carbonate

Database IDs

• MDL Number: MFCD20621949
• PubChem SID: 164305052
• PubChem CID: 13506641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3851293
• LogD (pH = 7.4): 1.3851293
• Log P: 1.3851293
• Molar Refractivity: 28.5181 cm^3
• Polarizability: 11.584273 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.244

Product Information

• Purity: 95%