4-(chloromethyl)-1,3-dioxolan-2-one

• ChemBase ID: 239204
• Molecular Formular: C4H5ClO3
• Molecular Mass: 136.5337
• Monoisotopic Mass: 135.9927217
• SMILES: C1(=O)OC(CO1)CCl
• Canonical SMILES: ClCC1COC(=O)O1
• InChI: InChI=1S/C4H5ClO3/c5-1-3-2-7-4(6)8-3/h3H,1-2H2
• InChIKey: LFEAJBLOEPTINE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-1,3-dioxolan-2-one
• IUPAC Traditional name: 4-(chloromethyl)-1,3-dioxolan-2-one
• Synonyms: 4-(chloromethyl)-1,3-dioxolan-2-one

Database IDs

• MDL Number: MFCD00022483
• PubChem SID: 164295114
• PubChem CID: 253297

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0945715
• LogD (pH = 7.4): 1.0945715
• Log P: 1.0945715
• Molar Refractivity: 26.0809 cm^3
• Polarizability: 10.8933935 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.17

Product Information

• Purity: 95%