ChemSpider 2D Image | Ethyl 3,3-diamino-2-(6-chloro-5-nitro-4-pyrimidinyl)acrylate | C9H10ClN5O4

Ethyl 3,3-diamino-2-(6-chloro-5-nitro-4-pyrimidinyl)acrylate

  • Molecular FormulaC9H10ClN5O4
  • Average mass287.660 Da
  • Monoisotopic mass287.042145 Da
  • ChemSpider ID28330132

More details:

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

3,3-Diamino-2-(6-chloro-5-nitro-4-pyrimidinyl)acrylate d'éthyle [French] [ACD/IUPAC Name]
4-Pyrimidineacetic acid, 6-chloro-α-(diaminomethylene)-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3,3-diamino-2-(6-chloro-5-nitro-4-pyrimidinyl)acrylate [ACD/IUPAC Name]
Ethyl-3,3-diamino-2-(6-chlor-5-nitro-4-pyrimidinyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 550.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.5±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 66.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.48
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.48
Polar Surface Area: 150 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 187.7±3.0 cm3

Click to predict properties on the Chemicalize site


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