2-amino-4-chlorobenzohydrazide

• ChemBase ID: 78914
• Molecular Formular: C7H8ClN3O
• Molecular Mass: 185.61092
• Monoisotopic Mass: 185.03558957
• SMILES: O=C(c1ccc(cc1N)Cl)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1N)Cl
• InChI: InChI=1S/C7H8ClN3O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,9-10H2,(H,11,12)
• InChIKey: CWFFGYMIRJCWMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-chlorobenzohydrazide
• IUPAC Traditional name: 2-amino-4-chlorobenzohydrazide
• Synonyms: 2-Amino-4-chlorobenzene-1-carbohydrazide

Database IDs

• MDL Number: MFCD00275911
• PubChem SID: 162043677
• PubChem CID: 2774426

CALCULATED PROPERTIES

• Acid pKa: 14.592183
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.95150304
• LogD (pH = 7.4): 0.9525162
• Log P: 0.95252913
• Molar Refractivity: 49.1257 cm^3
• Polarizability: 17.655851 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true