ChemSpider 2D Image | tert-butyl 6-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate | C12H13BrN2O3

tert-butyl 6-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate

  • Molecular FormulaC12H13BrN2O3
  • Average mass313.147 Da
  • Monoisotopic mass312.010956 Da
  • ChemSpider ID30913572

More details:

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

1260888-89-8 [RN]
1H-Indazole-1-carboxylic acid, 6-bromo-2,3-dihydro-3-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-brom-3-oxo-2,3-dihydro-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
6-Bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 6-bromo-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate
1h-indazole-1-carboxylic acid,6-bromo-2,3-dihydro-3-oxo-,1,1-dimethylethyl ester
3-dihydro-3-oxoindazole-1-carboxylate
MFCD16036570
tert-butyl 6-bromo-2,3-dihydro-3-oxoindazole-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.05
ACD/KOC (pH 5.5): 736.11
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.64
ACD/KOC (pH 7.4): 731.92
Polar Surface Area: 59 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

Click to predict properties on the Chemicalize site


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