ChemSpider 2D Image | (2E)-3-(3-Bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile | C21H15BrClN3O4

(2E)-3-(3-Bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile

  • Molecular FormulaC21H15BrClN3O4
  • Average mass488.719 Da
  • Monoisotopic mass486.993439 Da
  • ChemSpider ID34526004
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-(3-Brom-5-{4-chlor-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-3-(3-Bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(3-Bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)éthoxy]phénoxy}phényl)acrylonitrile [French] [ACD/IUPAC Name]
(2e)-3-(3-Bromo-5-{4-Chloro-2-[2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)ethoxy]phenoxy}phenyl)prop-2-Enenitrile
2-Propenenitrile, 3-[3-bromo-5-[4-chloro-2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy]phenoxy]phenyl]-, (2E)- [ACD/Index Name]
1YR

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 354.75
ACD/KOC (pH 5.5): 2327.19
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.41
ACD/KOC (pH 7.4): 2311.84
Polar Surface Area: 92 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

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