4-chloro-2-fluorobenzohydrazide

• ChemBase ID: 286103
• Molecular Formular: C7H6ClFN2O
• Molecular Mass: 188.5867432
• Monoisotopic Mass: 188.01526872
• SMILES: c1(c(cc(cc1)Cl)F)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1F)Cl
• InChI: InChI=1S/C7H6ClFN2O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: ISOHDQPNKZKLST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09813752
• PubChem SID: 180671634
• PubChem CID: 20114809

CALCULATED PROPERTIES

• Acid pKa: 12.48928
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2734762
• LogD (pH = 7.4): 1.2741454
• Log P: 1.274157
• Molar Refractivity: 44.6417 cm^3
• Polarizability: 16.280125 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 0.908

Product Information

• Purity: 95%