ChemSpider 2D Image | (2E)-3-(3-Chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile | C21H15Cl2N3O4

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

  • Molecular FormulaC21H15Cl2N3O4
  • Average mass444.267 Da
  • Monoisotopic mass443.043976 Da
  • ChemSpider ID28483809

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Chlor-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-Chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}phenyl)acrylonitrile [ACD/IUPAC Name]
(2E)-3-(3-Chloro-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-Chloro-5-{4-Chloro-2-[2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)ethoxy]phenoxy}phenyl)prop-2-Enenitrile
2-Propenenitrile, 3-[3-chloro-5-[4-chloro-2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy]phenoxy]phenyl]-, (2E)- [ACD/Index Name]

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

494 [DBID]

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: 1.636
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 281.38
ACD/KOC (pH 5.5): 1971.49
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.52
ACD/KOC (pH 7.4): 1958.46
Polar Surface Area: 92 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site


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