N-(4-chlorophenyl)-1-(hydrazinecarbonyl)formamide

• ChemBase ID: 60447
• Molecular Formular: C8H8ClN3O2
• Molecular Mass: 213.62102
• Monoisotopic Mass: 213.03050419
• SMILES: C(=O)(C(=O)Nc1ccc(Cl)cc1)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccc(cc1)Cl
• InChI: InChI=1S/C8H8ClN3O2/c9-5-1-3-6(4-2-5)11-7(13)8(14)12-10/h1-4H,10H2,(H,11,13)(H,12,14)
• InChIKey: SRAMFNRLNQNOES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chlorophenyl)-1-(hydrazinecarbonyl)formamide
• IUPAC Traditional name: N-(4-chlorophenyl)-1-(hydrazinecarbonyl)formamide
• Synonyms: N-(4-Chlorophenyl)-2-hydrazino-2-oxoacetamide

Database IDs

• MDL Number: MFCD00856252
• PubChem SID: 162026188
• PubChem CID: 2250853

CALCULATED PROPERTIES

• Acid pKa: 8.970669
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.67080534
• LogD (pH = 7.4): 0.66098005
• Log P: 0.6711767
• Molar Refractivity: 53.827 cm^3
• Polarizability: 19.800535 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false