4-chloro-2-methylbenzohydrazide

• ChemBase ID: 52332
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(c1c(cc(cc1)Cl)C)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1C)Cl
• InChI: InChI=1S/C8H9ClN2O/c1-5-4-6(9)2-3-7(5)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: KJXUWMCNRKHLCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylbenzohydrazide
• IUPAC Traditional name: 4-chloro-2-methylbenzohydrazide
• Synonyms: 4-Chloro-2-methylbenzhydrazide

Database IDs

• CAS Number: 75319-02-7
• MDL Number: MFCD03425682
• PubChem SID: 162057095
• PubChem CID: 4573225

CALCULATED PROPERTIES

• Acid pKa: 14.520122
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6439618
• LogD (pH = 7.4): 1.6448649
• Log P: 1.6448765
• Molar Refractivity: 49.4665 cm^3
• Polarizability: 18.247852 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false