2-chloro-6-fluorobenzohydrazide

• ChemBase ID: 94472
• Molecular Formular: C7H6ClFN2O
• Molecular Mass: 188.5867432
• Monoisotopic Mass: 188.01526872
• SMILES: N(C(=O)c1c(cccc1F)Cl)N
• Canonical SMILES: NNC(=O)c1c(F)cccc1Cl
• InChI: InChI=1S/C7H6ClFN2O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: YHTPNSHKWKSATG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluorobenzohydrazide
• IUPAC Traditional name: 2-chloro-6-fluorobenzohydrazide
• Synonyms: 2-Chloro-6-fluorobenzohydrazide

Database IDs

• MDL Number: MFCD08061568
• PubChem SID: 162081126
• PubChem CID: 11355944

CALCULATED PROPERTIES

• Acid pKa: 11.544414
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2735626
• LogD (pH = 7.4): 1.2741215
• Log P: 1.274157
• Molar Refractivity: 44.6417 cm^3
• Polarizability: 16.292618 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.078

Product Information

• Purity: 95%