ChemSpider 2D Image | 2-Methyl-2-propanyl 5-iodo-3-methyl-1H-indazole-1-carboxylate | C13H15IN2O2

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

  • Molecular FormulaC13H15IN2O2
  • Average mass358.175 Da
  • Monoisotopic mass358.017822 Da
  • ChemSpider ID24746293

More details:

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

1H-Indazole-1-carboxylic acid, 5-iodo-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-iodo-3-methyl-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-iod-3-methyl-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Iodo-3-méthyl-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1180526-39-9 [RN]
5-iodo-3-methyl-1H-Indazole-1-carboxylic acid 1,1-dimethylethyl ester
5-Iodo-3-methyl-indazole-1-carboxylic acid tert-butyl ester
MFCD12963656
tert-Butyl 5-iodo-3-methyl-1H-indazole-1-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 413.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.8±26.5 °C
Index of Refraction: 1.625
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 715.95
ACD/KOC (pH 5.5): 3847.04
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 715.95
ACD/KOC (pH 7.4): 3847.04
Polar Surface Area: 44 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 223.7±7.0 cm3

Click to predict properties on the Chemicalize site


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