2-chloro-3-methylbenzohydrazide

• ChemBase ID: 52329
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=O)(c1c(c(ccc1)C)Cl)NN
• Canonical SMILES: Cc1cccc(c1Cl)C(=O)NN
• InChI: InChI=1S/C8H9ClN2O/c1-5-3-2-4-6(7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: OIMUYOSYWNDADC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-methylbenzohydrazide
• IUPAC Traditional name: 2-chloro-3-methylbenzohydrazide
• Synonyms: 2-Chloro-3-methylbenzhydrazide

Database IDs

• MDL Number: MFCD03425680
• PubChem SID: 162057092
• PubChem CID: 4323643

CALCULATED PROPERTIES

• Acid pKa: 13.126487
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6441067
• LogD (pH = 7.4): 1.6448661
• Log P: 1.6448765
• Molar Refractivity: 49.4665 cm^3
• Polarizability: 18.260283 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123-125°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false