2-[(4-chlorophenyl)amino]acetohydrazide

• ChemBase ID: 33246
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: C(=O)(NN)CNc1ccc(Cl)cc1
• Canonical SMILES: NNC(=O)CNc1ccc(cc1)Cl
• InChI: InChI=1S/C8H10ClN3O/c9-6-1-3-7(4-2-6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
• InChIKey: RGWSDFHTYZOJAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(4-chlorophenyl)amino]acetohydrazide
• Synonyms: 2-[(4-Chlorophenyl)amino]acetohydrazide

Database IDs

• CAS Number: 2371-31-5
• MDL Number: MFCD00463072
• PubChem SID: 160996553
• PubChem CID: 302647

CALCULATED PROPERTIES

• Acid pKa: 11.8512125
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.42350817
• LogD (pH = 7.4): 0.42460552
• Log P: 0.42463362
• Molar Refractivity: 53.4475 cm^3
• Polarizability: 19.674501 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false