4-chloro-N,N-dimethyl-3-nitrobenzamide

• ChemBase ID: 309849
• Molecular Formular: C9H9ClN2O3
• Molecular Mass: 228.63236
• Monoisotopic Mass: 228.03016984
• SMILES: [N+](=O)(c1cc(C(=O)N(C)C)ccc1Cl)[O-]
• Canonical SMILES: CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C
• InChI: InChI=1S/C9H9ClN2O3/c1-11(2)9(13)6-3-4-7(10)8(5-6)12(14)15/h3-5H,1-2H3
• InChIKey: RIOXTSMUEXTUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N,N-dimethyl-3-nitrobenzamide
• IUPAC Traditional name: 4-chloro-N,N-dimethyl-3-nitrobenzamide
• Synonyms: 4-chloro-N,N-dimethyl-3-nitrobenzamide

Database IDs

• MDL Number: MFCD01211934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8152671
• LogD (pH = 7.4): 1.8152671
• Log P: 1.8152671
• Molar Refractivity: 56.0551 cm^3
• Polarizability: 20.744795 Å^3
• Polar Surface Area: 63.45 Å^2