ChemSpider 2D Image | 3-(Chlorocarbonyl)-1-ethyl-3-diaziridinecarboxylic acid | C5H7ClN2O3

3-(Chlorocarbonyl)-1-ethyl-3-diaziridinecarboxylic acid

  • Molecular FormulaC5H7ClN2O3
  • Average mass178.574 Da
  • Monoisotopic mass178.014526 Da
  • ChemSpider ID24187244

More details:

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

3-(Chlorcarbonyl)-1-ethyl-3-diaziridincarbonsäure [German] [ACD/IUPAC Name]
3-(Chlorocarbonyl)-1-ethyl-3-diaziridinecarboxylic acid [ACD/IUPAC Name]
3-Diaziridinecarboxylic acid, 3-(chlorocarbonyl)-1-ethyl- [ACD/Index Name]
Acide 3-(chlorocarbonyl)-1-éthyl-3-diaziridinecarboxylique [French] [ACD/IUPAC Name]
133587-70-9 [RN]
1936070-38-0 [RN]
3-(CARBONOCHLORIDOYL)-1-ETHYLDIAZIRIDINE-3-CARBOXYLIC ACID
3H-Diazirine-3-carboxylic acid, 3-(chlorocarbonyl)-, ethyl ester (9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 296.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.0±6.0 kJ/mol
Flash Point: 133.1±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 114.7±3.0 cm3

Click to predict properties on the Chemicalize site


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