ChemSpider 2D Image | TERT-BUTYL (3S)-3-[(6-CHLOROPYRIMIDIN-4-YL)OXY]PYRROLIDINE-1-CARBOXYLATE | C13H18ClN3O3

TERT-BUTYL (3S)-3-[(6-CHLOROPYRIMIDIN-4-YL)OXY]PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC13H18ClN3O3
  • Average mass299.753 Da
  • Monoisotopic mass299.103668 Da
  • ChemSpider ID27458145

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(6-Chloro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1314355-18-4 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(6-chloro-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(6-chlor-4-pyrimidinyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL (3S)-3-[(6-CHLOROPYRIMIDIN-4-YL)OXY]PYRROLIDINE-1-CARBOXYLATE
(S)-1-Boc-3-(6-Chloropyrimidin-4-yloxy)pyrrolidine
(S)-3-(6-Chloropyrimidin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Chloro-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-((6-chloropyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
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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: 412.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.0±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.88
ACD/KOC (pH 5.5): 414.77
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.88
ACD/KOC (pH 7.4): 414.77
Polar Surface Area: 65 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 234.8±3.0 cm3

Click to predict properties on the Chemicalize site


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