ChemSpider 2D Image | 2-Methyl-2-propanyl 5-bromo-3-iodo-7-methyl-1H-indazole-1-carboxylate | C13H14BrIN2O2

2-Methyl-2-propanyl 5-bromo-3-iodo-7-methyl-1H-indazole-1-carboxylate

  • Molecular FormulaC13H14BrIN2O2
  • Average mass437.071 Da
  • Monoisotopic mass435.928314 Da
  • ChemSpider ID114833891

More details:

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

1H-Indazole-1-carboxylic acid, 5-bromo-3-iodo-7-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-bromo-3-iodo-7-methyl-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-brom-3-iod-7-methyl-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Bromo-3-iodo-7-méthyl-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 458.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.1±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2288.38
ACD/KOC (pH 5.5): 8837.83
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2288.38
ACD/KOC (pH 7.4): 8837.83
Polar Surface Area: 44 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 236.3±7.0 cm3

Click to predict properties on the Chemicalize site


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