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Search term: KXQLLEWIPLWWHS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | tert-Butyl 3-formyl-4-nitro-1H-indole-1-carboxylate | C14H14N2O5

tert-Butyl 3-formyl-4-nitro-1H-indole-1-carboxylate

  • Molecular FormulaC14H14N2O5
  • Average mass290.271 Da
  • Monoisotopic mass290.090271 Da
  • ChemSpider ID29273382

More details:

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

1195785-11-5 [RN]
1H-Indole-1-carboxylic acid, 3-formyl-4-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-formyl-4-nitro-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-formyl-4-nitro-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-Formyl-4-nitro-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-formyl-4-nitro-1H-indole-1-carboxylate
[1195785-11-5] [RN]
273920-24-4 [RN]
3-Formyl-4-nitro-indole-1-carboxylic acid tert-butyl ester
MFCD26743646
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 454.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.8±29.6 °C
Index of Refraction: 1.591
Molar Refractivity: 74.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.98
ACD/KOC (pH 5.5): 675.25
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.98
ACD/KOC (pH 7.4): 675.25
Polar Surface Area: 94 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 221.0±7.0 cm3

Click to predict properties on the Chemicalize site


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