ChemSpider 2D Image | 2-(2-Nitro-1H-imidazol-1-yl)ethyl N,N'-bis(2-bromoethyl)phosphorodiamidate | C9H16Br2N5O4P

2-(2-Nitro-1H-imidazol-1-yl)ethyl N,N'-bis(2-bromoethyl)phosphorodiamidate

  • Molecular FormulaC9H16Br2N5O4P
  • Average mass449.036 Da
  • Monoisotopic mass446.930664 Da
  • ChemSpider ID30783409

More details:

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

2-(2-Nitro-1H-imidazol-1-yl)ethyl N,N'-bis(2-bromoethyl)phosphorodiamidate [ACD/IUPAC Name]
2-(2-Nitro-1H-imidazol-1-yl)ethyl-N,N'-bis(2-bromethyl)phosphorodiamidat [German] [ACD/IUPAC Name]
N,N'-Bis(2-bromoéthyl)phosphorodiamidate de 2-(2-nitro-1H-imidazol-1-yl)éthyle [French] [ACD/IUPAC Name]
Phosphorodiamidic acid, N,N'-bis(2-bromoethyl)-, 2-(2-nitro-1H-imidazol-1-yl)ethyl ester [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 557.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 49.03
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 49.03
Polar Surface Area: 124 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 228.7±7.0 cm3

Click to predict properties on the Chemicalize site


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