2-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide

• ChemBase ID: 101895
• Molecular Formular: C12H15BrN2O2
• Molecular Mass: 299.1637
• Monoisotopic Mass: 298.03168973
• SMILES: c1(c2c(c(cc1Br)C)CCC2)OCC(=O)NN
• Canonical SMILES: NNC(=O)COc1c(Br)cc(c2c1CCC2)C
• InChI: InChI=1S/C12H15BrN2O2/c1-7-5-10(13)12(17-6-11(16)15-14)9-4-2-3-8(7)9/h5H,2-4,6,14H2,1H3,(H,15,16)
• InChIKey: SIBXLHIRJPZXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide
• IUPAC Traditional name: 2-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide
• Synonyms: 2-[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]acetohydrazide

Database IDs

• CAS Number: 303010-22-2
• MDL Number: MFCD01570850
• PubChem SID: 162088564
• PubChem CID: 2728240

CALCULATED PROPERTIES

• Acid pKa: 11.615651
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4785805
• LogD (pH = 7.4): 2.4799573
• Log P: 2.479999
• Molar Refractivity: 70.4573 cm^3
• Polarizability: 26.580027 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%