2,5-difluorobenzohydrazide

• ChemBase ID: 10266
• Molecular Formular: C7H6F2N2O
• Molecular Mass: 172.1321464
• Monoisotopic Mass: 172.04481926
• SMILES: c1(ccc(c(c1)C(=O)NN)F)F
• Canonical SMILES: NNC(=O)c1cc(F)ccc1F
• InChI: InChI=1S/C7H6F2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: WNRRZAITMSBJFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-difluorobenzohydrazide
• IUPAC Traditional name: 2,5-difluorobenzohydrazide
• Synonyms: 2,5-Difluorobenzohydrazide; 2,5-Difluorobenzoic acid hydrazide; 2,5-Difluorobenzhydrazide

Database IDs

• CAS Number: 265644-03-9
• MDL Number: MFCD02183537
• PubChem SID: 160973573
• PubChem CID: 2774074

CALCULATED PROPERTIES

• Acid pKa: 12.06239
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8121811
• LogD (pH = 7.4): 0.8127978
• Log P: 0.8128143
• Molar Refractivity: 40.0533 cm^3
• Polarizability: 14.137332 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold
• TSCA Listed: false