3-phenylbenzohydrazide

• ChemBase ID: 813645
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: c1c(cc(cc1)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C13H12N2O/c14-15-13(16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,14H2,(H,15,16)
• InChIKey: BCAHBDYMHVWEAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylbenzohydrazide
• IUPAC Traditional name: 3-phenylbenzohydrazide
• Synonyms: BIPHENYL-3-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 709653-55-4

CALCULATED PROPERTIES

• Acid pKa: 14.525176
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.173763
• LogD (pH = 7.4): 2.1746247
• Log P: 2.174636
• Molar Refractivity: 64.7567 cm^3
• Polarizability: 25.585752 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%