2-chloro-4-fluorobenzohydrazide

• ChemBase ID: 257262
• Molecular Formular: C7H6ClFN2O
• Molecular Mass: 188.5867432
• Monoisotopic Mass: 188.01526872
• SMILES: c1(c(cc(cc1)F)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1Cl)F
• InChI: InChI=1S/C7H6ClFN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: FZUCKUWPBURKTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-fluorobenzohydrazide
• IUPAC Traditional name: 2-chloro-4-fluorobenzohydrazide
• Synonyms: 2-chloro-4-fluorobenzohydrazide

Database IDs

• MDL Number: MFCD09734700
• PubChem SID: 164313172
• PubChem CID: 16787932

CALCULATED PROPERTIES

• Acid pKa: 12.87768
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2733822
• LogD (pH = 7.4): 1.274146
• Log P: 1.274157
• Molar Refractivity: 44.6417 cm^3
• Polarizability: 16.29151 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.45

Product Information

• Purity: 95%