2-(4-phenylphenoxy)acetohydrazide

• ChemBase ID: 21657
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(NN)COc1ccc(c2ccccc2)cc1
• Canonical SMILES: NNC(=O)COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)10-18-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: IPSUINOGBWHSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(4-phenylphenoxy)acetohydrazide
• Synonyms: 2-(biphenyl-4-yloxy)acetohydrazide; 2-([1,1'-Biphenyl]-4-yloxy)acetohydrazide; (Biphenyl-4-yloxy)-acetic acid hydrazide

Database IDs

• CAS Number: 84161-08-0
• MDL Number: MFCD01365732
• PubChem SID: 160984964
• PubChem CID: 1987782

CALCULATED PROPERTIES

• Acid pKa: 12.347968
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8359468
• LogD (pH = 7.4): 1.8373426
• Log P: 1.8373649
• Molar Refractivity: 70.0483 cm^3
• Polarizability: 28.290049 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.097

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%