4-(2-fluorophenyl)benzohydrazide

• ChemBase ID: 101956
• Molecular Formular: C13H11FN2O
• Molecular Mass: 230.2376432
• Monoisotopic Mass: 230.0855412
• SMILES: C(=O)(c1ccc(c2c(F)cccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)c1ccccc1F
• InChI: InChI=1S/C13H11FN2O/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(17)16-15/h1-8H,15H2,(H,16,17)
• InChIKey: JECYSDNNXSKYNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenyl)benzohydrazide
• IUPAC Traditional name: 4-(2-fluorophenyl)benzohydrazide
• Synonyms: 2'-fluoro[1,1'-biphenyl]-4-carbohydrazide

Database IDs

• CAS Number: 259269-90-4
• MDL Number: MFCD00662512
• PubChem SID: 162088480
• PubChem CID: 715063

CALCULATED PROPERTIES

• Acid pKa: 14.216919
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3164701
• LogD (pH = 7.4): 2.3173268
• Log P: 2.3173378
• Molar Refractivity: 64.9731 cm^3
• Polarizability: 25.181599 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%