2-chloro-N-methoxyacetamide

• ChemBase ID: 253270
• Molecular Formular: C3H6ClNO2
• Molecular Mass: 123.53824
• Monoisotopic Mass: 123.00870612
• SMILES: C(=O)(NOC)CCl
• Canonical SMILES: CONC(=O)CCl
• InChI: InChI=1S/C3H6ClNO2/c1-7-5-3(6)2-4/h2H2,1H3,(H,5,6)
• InChIKey: QUWWITOOFIHCJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methoxyacetamide
• IUPAC Traditional name: 2-chloro-N-methoxyacetamide
• Synonyms: 2-chloro-N-methoxyacetamide

Database IDs

• MDL Number: MFCD11505358
• PubChem SID: 164309180
• PubChem CID: 12774345

CALCULATED PROPERTIES

• Acid pKa: 5.422389
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40421927
• LogD (pH = 7.4): -1.0273057
• Log P: -0.11816552
• Molar Refractivity: 25.466 cm^3
• Polarizability: 10.173154 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): -0.655

Product Information

• Purity: 95%