2-(3-chloro-4-fluorophenoxy)acetohydrazide

• ChemBase ID: 27167
• Molecular Formular: C8H8ClFN2O2
• Molecular Mass: 218.6127232
• Monoisotopic Mass: 218.02583341
• SMILES: C(=O)(NN)COc1cc(c(cc1)F)Cl
• Canonical SMILES: NNC(=O)COc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C8H8ClFN2O2/c9-6-3-5(1-2-7(6)10)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: WNOZXWXSEMYETA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloro-4-fluorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(3-chloro-4-fluorophenoxy)acetohydrazide
• Synonyms: 2-(3-Chloro-4-fluorophenoxy)acetohydrazide

Database IDs

• MDL Number: MFCD03423112
• PubChem SID: 160990474
• PubChem CID: 17255525

CALCULATED PROPERTIES

• Acid pKa: 10.473826
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.93545675
• LogD (pH = 7.4): 0.9365364
• Log P: 0.9368862
• Molar Refractivity: 49.9333 cm^3
• Polarizability: 19.061058 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false