2-chloro-N'-(diphenylmethylidene)acetohydrazide

• ChemBase ID: 233350
• Molecular Formular: C15H13ClN2O
• Molecular Mass: 272.72952
• Monoisotopic Mass: 272.07164073
• SMILES: N(=C(\c1ccccc1)/c1ccccc1)\NC(=O)CCl
• Canonical SMILES: ClCC(=O)N/N=C(\c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C15H13ClN2O/c16-11-14(19)17-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
• InChIKey: FOGMNOHCZQDZGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N'-(diphenylmethylidene)acetohydrazide
• IUPAC Traditional name: 2-chloro-N'-(diphenylmethylidene)acetohydrazide
• Synonyms: 2-chloro-N'-(diphenylmethylene)acetohydrazide

Database IDs

• CAS Number: 29043-58-1
• MDL Number: MFCD04621520
• PubChem SID: 164289260
• PubChem CID: 607111

CALCULATED PROPERTIES

• Acid pKa: 11.561819
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3931105
• LogD (pH = 7.4): 3.3931277
• Log P: 3.3931549
• Molar Refractivity: 76.3097 cm^3
• Polarizability: 29.171883 Å^3
• Polar Surface Area: 41.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.626

Product Information

• Purity: 95%