ChemSpider 2D Image | Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate | C12H11BrN2O2S

Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate

  • Molecular FormulaC12H11BrN2O2S
  • Average mass327.197 Da
  • Monoisotopic mass325.972443 Da
  • ChemSpider ID21467837

More details:

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

1138444-37-7 [RN]
4-(Bromométhyl)-2-(2-pyridinyl)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-(bromomethyl)-2-(2-pyridinyl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(bromomethyl)-2-(2-pyridinyl)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 4-(bromomethyl)-2-(pyridin-2-yl)-1,3-thiazole-5-carboxylate
Ethyl-4-(brommethyl)-2-(2-pyridinyl)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
Ethyl-4-(bromomethyl)-2-(2-pyridyl)thiazole-5-carboxylate
MFCD11869291 [MDL number]
[1138444-37-7] [RN]
1159735-22-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 475.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.3±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 74.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.50
ACD/KOC (pH 5.5): 1546.90
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.50
ACD/KOC (pH 7.4): 1546.90
Polar Surface Area: 80 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 214.5±3.0 cm3

Click to predict properties on the Chemicalize site


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