2-bromo-5-fluorobenzohydrazide

• ChemBase ID: 270216
• Molecular Formular: C7H6BrFN2O
• Molecular Mass: 233.0377432
• Monoisotopic Mass: 231.96475304
• SMILES: c1(C(=O)NN)c(ccc(c1)F)Br
• Canonical SMILES: NNC(=O)c1cc(F)ccc1Br
• InChI: InChI=1S/C7H6BrFN2O/c8-6-2-1-4(9)3-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: UHHIUBDBCVUFLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluorobenzohydrazide
• IUPAC Traditional name: 2-bromo-5-fluorobenzohydrazide
• Synonyms: 2-bromo-5-fluorobenzohydrazide

Database IDs

• MDL Number: MFCD09741999
• PubChem SID: 164326126
• PubChem CID: 16795176

CALCULATED PROPERTIES

• Acid pKa: 12.46128
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4381456
• LogD (pH = 7.4): 1.4388525
• Log P: 1.438865
• Molar Refractivity: 47.4597 cm^3
• Polarizability: 17.35346 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.548

Product Information

• Purity: 95%