N'-[(1E)-2-chloroethylidene]benzohydrazide

• ChemBase ID: 232712
• Molecular Formular: C9H9ClN2O
• Molecular Mass: 196.63356
• Monoisotopic Mass: 196.0403406
• SMILES: C(=O)(N/N=C/CCl)c1ccccc1
• Canonical SMILES: ClC/C=N/NC(=O)c1ccccc1
• InChI: InChI=1S/C9H9ClN2O/c10-6-7-11-12-9(13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)/b11-7+
• InChIKey: JVLHINXABPDBFU-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-2-chloroethylidene]benzohydrazide
• IUPAC Traditional name: N'-[(1E)-2-chloroethylidene]benzohydrazide
• Synonyms: N'-[(1E)-2-chloroethylidene]benzohydrazide

Database IDs

• MDL Number: MFCD04624239
• PubChem SID: 164288622
• PubChem CID: 9638567

CALCULATED PROPERTIES

• Acid pKa: 10.6542
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4327533
• LogD (pH = 7.4): 1.432554
• Log P: 1.4327685
• Molar Refractivity: 52.065 cm^3
• Polarizability: 19.41626 Å^3
• Polar Surface Area: 41.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.014

Product Information

• Purity: 95%