methyl 3-(chlorosulfonyl)-2-oxo-1,3-oxazolidine-5-carboxylate

• ChemBase ID: 248281
• Molecular Formular: C5H6ClNO6S
• Molecular Mass: 243.62224
• Monoisotopic Mass: 242.9604356
• SMILES: N1(S(=O)(=O)Cl)C(=O)OC(C1)C(=O)OC
• Canonical SMILES: COC(=O)C1OC(=O)N(C1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H6ClNO6S/c1-12-4(8)3-2-7(5(9)13-3)14(6,10)11/h3H,2H2,1H3
• InChIKey: IMOCPBCLOMBRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(chlorosulfonyl)-2-oxo-1,3-oxazolidine-5-carboxylate
• IUPAC Traditional name: methyl 3-(chlorosulfonyl)-2-oxo-1,3-oxazolidine-5-carboxylate
• Synonyms: methyl 3-(chlorosulfonyl)-2-oxo-1,3-oxazolidine-5-carboxylate

Database IDs

• PubChem SID: 164304191
• PubChem CID: 71758436

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.15514745
• LogD (pH = 7.4): -0.15514745
• Log P: -0.15514745
• Molar Refractivity: 43.5941 cm^3
• Polarizability: 18.509935 Å^3
• Polar Surface Area: 89.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.101

Product Information

• Purity: null%