ethyl 2-(2-chloro-N-methylacetamido)acetate

• ChemBase ID: 273147
• Molecular Formular: C7H12ClNO3
• Molecular Mass: 193.62808
• Monoisotopic Mass: 193.05057093
• SMILES: C(=O)(N(CC(=O)OCC)C)CCl
• Canonical SMILES: CCOC(=O)CN(C(=O)CCl)C
• InChI: InChI=1S/C7H12ClNO3/c1-3-12-7(11)5-9(2)6(10)4-8/h3-5H2,1-2H3
• InChIKey: SPTMJRQXUGBDQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-chloro-N-methylacetamido)acetate
• IUPAC Traditional name: ethyl 2-(2-chloro-N-methylacetamido)acetate
• Synonyms: ethyl 2-(2-chloro-N-methylacetamido)acetate

Database IDs

• MDL Number: MFCD14687591
• PubChem SID: 164329057
• PubChem CID: 12748070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06490707
• LogD (pH = 7.4): -0.06490707
• Log P: -0.06490707
• Molar Refractivity: 44.6148 cm^3
• Polarizability: 17.572165 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.784

Product Information

• Purity: 95%