N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide

• ChemBase ID: 311692
• Molecular Formular: C9H9ClN2O4
• Molecular Mass: 244.63176
• Monoisotopic Mass: 244.02508446
• SMILES: [N+](=O)(c1cc(NC(=O)COC)ccc1Cl)[O-]
• Canonical SMILES: COCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl
• InChI: InChI=1S/C9H9ClN2O4/c1-16-5-9(13)11-6-2-3-7(10)8(4-6)12(14)15/h2-4H,5H2,1H3,(H,11,13)
• InChIKey: MTINYARLRNISBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide
• IUPAC Traditional name: N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide
• Synonyms: N-(4-chloro-3-nitrophenyl)-2-methoxyacetamide

Database IDs

• CAS Number: 430460-20-1
• MDL Number: MFCD02924501

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5808635
• LogD (pH = 7.4): 1.5808586
• Log P: 1.5808635
• Molar Refractivity: 58.4997 cm^3
• Polarizability: 21.689272 Å^3
• Polar Surface Area: 81.47 Å^2