ChemSpider 2D Image | tert-butyl 7-(chlorosulfonyl)-1H-indole-1-carboxylate | C13H14ClNO4S

tert-butyl 7-(chlorosulfonyl)-1H-indole-1-carboxylate

  • Molecular FormulaC13H14ClNO4S
  • Average mass315.773 Da
  • Monoisotopic mass315.033203 Da
  • ChemSpider ID64952674

More details:

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

1191028-58-6 [RN]
1H-Indole-1-carboxylic acid, 7-(chlorosulfonyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-(chlorosulfonyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-(chlorsulfonyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
7-(Chlorosulfonyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 7-(chlorosulfonyl)-1H-indole-1-carboxylate
MFCD31435880

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

Density: 1.4±0.1 g/cm3
Boiling Point: 435.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.2±26.5 °C
Index of Refraction: 1.587
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.31
ACD/KOC (pH 5.5): 1589.78
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.31
ACD/KOC (pH 7.4): 1589.78
Polar Surface Area: 74 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 231.8±7.0 cm3

Click to predict properties on the Chemicalize site


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