3-phenoxybenzohydrazide

• ChemBase ID: 52182
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: C(=O)(c1cc(ccc1)Oc1ccccc1)NN
• Canonical SMILES: NNC(=O)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
• InChIKey: AZEXBWWYRSXTTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxybenzohydrazide
• IUPAC Traditional name: 3-phenoxybenzohydrazide
• Synonyms: 3-Phenoxybenzhydrazide

Database IDs

• CAS Number: 206761-84-4
• MDL Number: MFCD01090945
• PubChem SID: 162056945
• PubChem CID: 607488

CALCULATED PROPERTIES

• Acid pKa: 13.96318
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0268552
• LogD (pH = 7.4): 2.0276868
• Log P: 2.0276976
• Molar Refractivity: 65.8613 cm^3
• Polarizability: 24.909859 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-110°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%