2-[(2,4-difluorophenyl)amino]acetohydrazide

• ChemBase ID: 44201
• Molecular Formular: C8H9F2N3O
• Molecular Mass: 201.1733664
• Monoisotopic Mass: 201.07136836
• SMILES: C(=O)(NN)CNc1c(cc(cc1)F)F
• Canonical SMILES: NNC(=O)CNc1ccc(cc1F)F
• InChI: InChI=1S/C8H9F2N3O/c9-5-1-2-7(6(10)3-5)12-4-8(14)13-11/h1-3,12H,4,11H2,(H,13,14)
• InChIKey: MYMHLHGCFXJPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,4-difluorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2,4-difluorophenyl)amino]acetohydrazide
• Synonyms: 2-(2,4-Difluoroanilino)acetohydrazide; 2-(2,4-Difluoroanilino)acetohydrazide; 2-[(2,4-Difluorophenyl)amino]acetohydrazide; N-(2,4-Difluorophenyl)glycinehydrazide

Database IDs

• CAS Number: 2351-00-0
• MDL Number: MFCD00098762
• PubChem SID: 162048964
• PubChem CID: 302630

CALCULATED PROPERTIES

• Acid pKa: 11.018917
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.10492452
• LogD (pH = 7.4): 0.105885044
• Log P: 0.10599282
• Molar Refractivity: 49.0755 cm^3
• Polarizability: 17.310247 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%