ChemSpider 2D Image | 3-(Methylamino)-3-oxopropyl 3-bromo-2-thiophenecarboxylate | C9H10BrNO3S

3-(Methylamino)-3-oxopropyl 3-bromo-2-thiophenecarboxylate

  • Molecular FormulaC9H10BrNO3S
  • Average mass292.150 Da
  • Monoisotopic mass290.956482 Da
  • ChemSpider ID30449924

More details:

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

2-Thiophenecarboxylic acid, 3-bromo-, 3-(methylamino)-3-oxopropyl ester [ACD/Index Name]
3-(Methylamino)-3-oxopropyl 3-bromo-2-thiophenecarboxylate [ACD/IUPAC Name]
3-(Methylamino)-3-oxopropyl-3-brom-2-thiophencarboxylat [German] [ACD/IUPAC Name]
3-Bromo-2-thiophènecarboxylate de 3-(méthylamino)-3-oxopropyle [French] [ACD/IUPAC Name]
2-(METHYLCARBAMOYL)ETHYL 3-BROMOTHIOPHENE-2-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 461.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.1±25.9 °C
Index of Refraction: 1.568
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.43
ACD/KOC (pH 5.5): 258.06
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 258.06
Polar Surface Area: 84 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 188.4±3.0 cm3

Click to predict properties on the Chemicalize site


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