1-benzofuran-2-carbohydrazide

• ChemBase ID: 73925
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: o1c(cc2ccccc12)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc2c(o1)cccc2
• InChI: InChI=1S/C9H8N2O2/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
• InChIKey: SYUDUCVHYKSSNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-2-carbohydrazide
• IUPAC Traditional name: 1-benzofuran-2-carbohydrazide
• Synonyms: 1-Benzofuran-2-carbohydrazide

Database IDs

• MDL Number: MFCD00456546
• PubChem SID: 162038844
• PubChem CID: 468646

CALCULATED PROPERTIES

• Acid pKa: 12.534515
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.60606337
• LogD (pH = 7.4): 0.6065262
• Log P: 0.60653496
• Molar Refractivity: 48.3391 cm^3
• Polarizability: 18.969223 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 0.825

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%