2-(2-fluorophenoxy)acetohydrazide

• ChemBase ID: 27349
• Molecular Formular: C8H9FN2O2
• Molecular Mass: 184.1676632
• Monoisotopic Mass: 184.06480576
• SMILES: C(=O)(NN)COc1c(F)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1F
• InChI: InChI=1S/C8H9FN2O2/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: XTXWVVVBLMYXNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-fluorophenoxy)acetohydrazide
• Synonyms: 2-(2-Fluorophenoxy)acetohydrazide; (2-Fluoro-phenoxy)-acetic acid hydrazide

Database IDs

• CAS Number: 380426-61-9
• MDL Number: MFCD02295759
• PubChem SID: 160990656
• PubChem CID: 1540410

CALCULATED PROPERTIES

• Acid pKa: 11.233209
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.33142027
• LogD (pH = 7.4): 0.3327384
• Log P: 0.3328415
• Molar Refractivity: 45.1285 cm^3
• Polarizability: 17.073708 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 112°C
• Hydrophobicity(logP): 0.292

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%