2-[(4-fluorophenyl)amino]acetohydrazide

• ChemBase ID: 58236
• Molecular Formular: C8H10FN3O
• Molecular Mass: 183.1829032
• Monoisotopic Mass: 183.08079018
• SMILES: C(=O)(NN)CNc1ccc(cc1)F
• Canonical SMILES: NNC(=O)CNc1ccc(cc1)F
• InChI: InChI=1S/C8H10FN3O/c9-6-1-3-7(4-2-6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
• InChIKey: BNBXEYVSKUPDQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(4-fluorophenyl)amino]acetohydrazide
• Synonyms: 2-[(4-Fluorophenyl)amino]acetohydrazide

Database IDs

• CAS Number: 710-31-6
• MDL Number: MFCD00100332
• PubChem SID: 162062999
• PubChem CID: 302634

CALCULATED PROPERTIES

• Acid pKa: 11.8544235
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.037931032
• LogD (pH = 7.4): -0.036738347
• Log P: -0.03670912
• Molar Refractivity: 48.8591 cm^3
• Polarizability: 17.506937 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 83°C
• Hydrophobicity(logP): 0.369

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%