2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide

• ChemBase ID: 310779
• Molecular Formular: C12H17BrN2O2
• Molecular Mass: 301.17958
• Monoisotopic Mass: 300.04733979
• SMILES: c1(c(cc(c(c1)Br)C)OCC(=O)NN)C(C)C
• Canonical SMILES: NNC(=O)COc1cc(C)c(cc1C(C)C)Br
• InChI: InChI=1S/C12H17BrN2O2/c1-7(2)9-5-10(13)8(3)4-11(9)17-6-12(16)15-14/h4-5,7H,6,14H2,1-3H3,(H,15,16)
• InChIKey: VHINUCCSGNBBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-bromo-5-methyl-2-(propan-2-yl)phenoxy]acetohydrazide
• IUPAC Traditional name: 2-(4-bromo-2-isopropyl-5-methylphenoxy)acetohydrazide
• Synonyms: 2-(4-bromo-2-isopropyl-5-methylphenoxy)acetohydrazide

Database IDs

• CAS Number: 415943-40-7
• MDL Number: MFCD00815925

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.715904
• LogD (pH = 7.4): 2.7172778
• Log P: 2.7173228
• Molar Refractivity: 71.7669 cm^3
• Polarizability: 27.348076 Å^3
• Polar Surface Area: 64.35 Å^2