ChemSpider 2D Image | (2E)-3-(3-{4-Chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile | C21H16ClN3O4

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

  • Molecular FormulaC21H16ClN3O4
  • Average mass409.822 Da
  • Monoisotopic mass409.082947 Da
  • ChemSpider ID28483808

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.68
ACD/KOC (pH 5.5): 904.08
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.06
ACD/KOC (pH 7.4): 898.14
Polar Surface Area: 92 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

Click to predict properties on the Chemicalize site


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