4-(2,6-dibromo-4-methylphenoxymethyl)benzohydrazide

• ChemBase ID: 230497
• Molecular Formular: C15H14Br2N2O2
• Molecular Mass: 414.09186
• Monoisotopic Mass: 411.9422017
• SMILES: c1(c(cc(cc1Br)C)Br)OCc1ccc(C(=O)NN)cc1
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1c(Br)cc(cc1Br)C
• InChI: InChI=1S/C15H14Br2N2O2/c1-9-6-12(16)14(13(17)7-9)21-8-10-2-4-11(5-3-10)15(20)19-18/h2-7H,8,18H2,1H3,(H,19,20)
• InChIKey: SPHAWFCEDPCJJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,6-dibromo-4-methylphenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(2,6-dibromo-4-methylphenoxymethyl)benzohydrazide
• Synonyms: 4-(2,6-Dibromo-4-methyl-phenoxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03150575
• PubChem SID: 164286407
• PubChem CID: 2338532

CALCULATED PROPERTIES

• Acid pKa: 14.348357
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.144252
• LogD (pH = 7.4): 4.145128
• Log P: 4.1451387
• Molar Refractivity: 90.9831 cm^3
• Polarizability: 34.178356 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.906

Product Information

• Purity: 95%