ChemSpider 2D Image | tert-butyl 2-{[(2-chloro-1,3-thiazol-5-yl)methoxy]methyl}pyrrolidine-1-carboxylate | C14H21ClN2O3S

tert-butyl 2-{[(2-chloro-1,3-thiazol-5-yl)methoxy]methyl}pyrrolidine-1-carboxylate

  • Molecular FormulaC14H21ClN2O3S
  • Average mass332.846 Da
  • Monoisotopic mass332.096130 Da
  • ChemSpider ID27458264

More details:

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

1261233-66-2 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[(2-chloro-5-thiazolyl)methoxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(2-Chloro-1,3-thiazol-5-yl)méthoxy]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(2-chloro-1,3-thiazol-5-yl)methoxy]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(2-chlor-1,3-thiazol-5-yl)methoxy]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-{[(2-chloro-1,3-thiazol-5-yl)methoxy]methyl}pyrrolidine-1-carboxylate
1-Boc-2-(2-Chlorothiazol-5-ylmethoxymethyl)pyrrolidine
2-(2-Chlorothiazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(2-Chloro-thiazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(2-Chloro-thiazol-5-ylmethoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
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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: 430.2±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.0±28.2 °C
Index of Refraction: 1.542
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.35
ACD/KOC (pH 5.5): 846.40
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.35
ACD/KOC (pH 7.4): 846.41
Polar Surface Area: 80 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 266.2±3.0 cm3

Click to predict properties on the Chemicalize site


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