2-[(4-fluorophenyl)methoxy]benzohydrazide

• ChemBase ID: 230524
• Molecular Formular: C14H13FN2O2
• Molecular Mass: 260.2636232
• Monoisotopic Mass: 260.09610589
• SMILES: c1(C(=O)NN)c(OCc2ccc(F)cc2)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1OCc1ccc(cc1)F
• InChI: InChI=1S/C14H13FN2O2/c15-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(18)17-16/h1-8H,9,16H2,(H,17,18)
• InChIKey: MLPXPPHDKIFDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-fluorophenyl)methoxy]benzohydrazide
• IUPAC Traditional name: 2-[(4-fluorophenyl)methoxy]benzohydrazide
• Synonyms: 2-(4-Fluoro-benzyloxy)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD02724827
• PubChem SID: 164286434
• PubChem CID: 2360855

CALCULATED PROPERTIES

• Acid pKa: 13.569862
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2361453
• LogD (pH = 7.4): 2.2369041
• Log P: 2.2369142
• Molar Refractivity: 70.9127 cm^3
• Polarizability: 26.369059 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.273

Product Information

• Purity: 95%