ChemSpider 2D Image | tert-butyl 5-nitro-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate | C12H13N3O5

tert-butyl 5-nitro-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

  • Molecular FormulaC12H13N3O5
  • Average mass279.249 Da
  • Monoisotopic mass279.085510 Da
  • ChemSpider ID30913574

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indazole-1-carboxylic acid, 2,3-dihydro-5-nitro-3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-nitro-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-nitro-3-oxo-2,3-dihydro-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Nitro-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
876343-67-8 [RN]
tert-butyl 5-nitro-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate
1h-indazole-1-carboxylic acid,2,3-dihydro-5-nitro-3-oxo-,1,1-dimethylethyl ester
MFCD13182996
TERT-BUTYL 5-NITRO-3-OXO-2H-INDAZOLE-1-CARBOXYLATE

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.587
    Molar Refractivity: 67.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.25
    ACD/KOC (pH 5.5): 184.05
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 9.52
    ACD/KOC (pH 7.4): 170.91
    Polar Surface Area: 104 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 201.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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