N'-(2-chloroacetyl)-4-fluorobenzohydrazide

• ChemBase ID: 233374
• Molecular Formular: C9H8ClFN2O2
• Molecular Mass: 230.6234232
• Monoisotopic Mass: 230.02583341
• SMILES: C(=O)(NNC(=O)CCl)c1ccc(cc1)F
• Canonical SMILES: ClCC(=O)NNC(=O)c1ccc(cc1)F
• InChI: InChI=1S/C9H8ClFN2O2/c10-5-8(14)12-13-9(15)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,14)(H,13,15)
• InChIKey: DFWYATDNOKDVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-4-fluorobenzohydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-4-fluorobenzohydrazide
• Synonyms: N'-(chloroacetyl)-4-fluorobenzohydrazide

Database IDs

• MDL Number: MFCD05262974
• PubChem SID: 164289284
• PubChem CID: 579389

CALCULATED PROPERTIES

• Acid pKa: 6.8501854
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8977177
• LogD (pH = 7.4): 0.4043016
• Log P: 0.9144825
• Molar Refractivity: 52.9719 cm^3
• Polarizability: 19.757435 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.269

Product Information

• Purity: 95%