3-(2-chloroethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 111938
• Molecular Formular: C5H8ClNO2
• Molecular Mass: 149.57552
• Monoisotopic Mass: 149.02435618
• SMILES: ClCCN1CCOC1=O
• Canonical SMILES: ClCCN1CCOC1=O
• InChI: InChI=1S/C5H8ClNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2
• InChIKey: CDYDZTYVCIPLHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloroethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-chloroethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(β-CHLOROETHYL)OXAZOLIDONE

Database IDs

• CAS Number: 2508-01-2
• PubChem SID: 162096670
• PubChem CID: 75633

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5293198
• LogD (pH = 7.4): 0.5293198
• Log P: 0.5293198
• Molar Refractivity: 33.2572 cm^3
• Polarizability: 13.083612 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221796

MP Biomedicals Rare Chemical collection