2-(2-chloro-6-fluorophenyl)acetohydrazide

• ChemBase ID: 27296
• Molecular Formular: C8H8ClFN2O
• Molecular Mass: 202.6133232
• Monoisotopic Mass: 202.03091879
• SMILES: c1(CC(=O)NN)c(Cl)cccc1F
• Canonical SMILES: NNC(=O)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C8H8ClFN2O/c9-6-2-1-3-7(10)5(6)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: JFQBTQNVMZJVLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-6-fluorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(2-chloro-6-fluorophenyl)acetohydrazide
• Synonyms: 2-(2-Chloro-6-fluorophenyl)acetohydrazide

Database IDs

• CAS Number: 669740-15-2
• MDL Number: MFCD03423204
• PubChem SID: 160990603
• PubChem CID: 3754853

CALCULATED PROPERTIES

• Acid pKa: 10.738877
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2525012
• LogD (pH = 7.4): 1.253154
• Log P: 1.2543224
• Molar Refractivity: 48.6931 cm^3
• Polarizability: 18.289316 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false