ChemSpider 2D Image | 1-(3-Bromo-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxyethanone | C11H14BrN3O4

1-(3-Bromo-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxyethanone

  • Molecular FormulaC11H14BrN3O4
  • Average mass332.151 Da
  • Monoisotopic mass331.016754 Da
  • ChemSpider ID30245303

More details:

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

1-(3-Brom-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxyethanon [German] [ACD/IUPAC Name]
1-(3-Bromo-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxyethanone [ACD/IUPAC Name]
1-(3-Bromo-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3-bromo-4-imino-5-nitro-1(4H)-pyridinyl)-2-butoxy- [ACD/Index Name]
1-(3-BROMO-4-IMINO-5-NITROPYRIDIN-1-YL)-2-BUTOXYETHANONE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 392.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.9±27.9 °C
Index of Refraction: 1.601
Molar Refractivity: 71.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 30.62
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 93.40
Polar Surface Area: 99 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 209.7±7.0 cm3

Click to predict properties on the Chemicalize site


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