4-chloro-2-methoxybenzohydrazide

• ChemBase ID: 252217
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: c1(c(cc(cc1)Cl)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1OC)Cl
• InChI: InChI=1S/C8H9ClN2O2/c1-13-7-4-5(9)2-3-6(7)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
• InChIKey: GKGVSXXYKPLIGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methoxybenzohydrazide
• IUPAC Traditional name: 4-chloro-2-methoxybenzohydrazide
• Synonyms: 4-chloro-2-methoxybenzohydrazide

Database IDs

• MDL Number: MFCD08245268
• PubChem SID: 164308127
• PubChem CID: 9361747

CALCULATED PROPERTIES

• Acid pKa: 13.362129
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9730229
• LogD (pH = 7.4): 0.97377384
• Log P: 0.97378385
• Molar Refractivity: 50.8885 cm^3
• Polarizability: 19.046223 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 1.178

Product Information

• Purity: 95%