ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(5-nitro-1,3-benzoxazol-2-yl)sulfonyl]-1-pyrrolidinecarboxylate | C16H19N3O7S

2-Methyl-2-propanyl 3-[(5-nitro-1,3-benzoxazol-2-yl)sulfonyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID29286124

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[(5-nitro-2-benzoxazolyl)sulfonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(5-nitro-1,3-benzoxazol-2-yl)sulfonyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(5-nitro-1,3-benzoxazol-2-yl)sulfonyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(5-Nitro-1,3-benzoxazol-2-yl)sulfonyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1420884-40-7 [RN]
tert-Butyl 3-((5-nitrobenzo[d]oxazol-2-yl)sulfonyl)pyrrolidine-1-carboxylate
tert-butyl-3-((5-nitrobenzo[d]oxazol-2-yl)sulfonyl)pyrrolidine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.89
ACD/KOC (pH 5.5): 327.26
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.89
ACD/KOC (pH 7.4): 327.26
Polar Surface Area: 144 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

Click to predict properties on the Chemicalize site


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