ChemSpider 2D Image | 5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide | C14H14Br2N4O7

5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide

  • Molecular FormulaC14H14Br2N4O7
  • Average mass510.092 Da
  • Monoisotopic mass507.922913 Da
  • ChemSpider ID4450059

More details:

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

5-[Bis(2-bromethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamid [German] [ACD/IUPAC Name]
5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide [ACD/IUPAC Name]
5-[Bis(2-bromoéthyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide [French] [ACD/IUPAC Name]
Benzamide, 5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitro- [ACD/Index Name]
2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
BEL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 78.02
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.68
Polar Surface Area: 158 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


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