ChemSpider 2D Image | 4-Nitrobenzyl (4-bromo-2-butanyl)(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamate | C16H17BrN4O6

4-Nitrobenzyl (4-bromo-2-butanyl)(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamate

  • Molecular FormulaC16H17BrN4O6
  • Average mass441.233 Da
  • Monoisotopic mass440.033142 Da
  • ChemSpider ID102735238

More details:

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

(4-Bromo-2-butanyl)(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)carbamate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
4-Nitrobenzyl (4-bromo-2-butanyl)(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamate [ACD/IUPAC Name]
4-Nitrobenzyl-(4-brom-2-butanyl)(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(3-bromo-1-methylpropyl)-N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (4-nitrophenyl)methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.05
ACD/KOC (pH 5.5): 253.24
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 10.35
ACD/KOC (pH 7.4): 163.41
Polar Surface Area: 134 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


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