ChemSpider 2D Image | (2S)-(4-Chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile | C17H9Cl3N4O2

(2S)-(4-Chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile

  • Molecular FormulaC17H9Cl3N4O2
  • Average mass407.638 Da
  • Monoisotopic mass405.979095 Da
  • ChemSpider ID23174726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-(4-Chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitrile [ACD/IUPAC Name]
(2S)-(4-Chlorophényl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phényl]acétonitrile [French] [ACD/IUPAC Name]
(2S)-(4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]ethanenitrile
(2S)-(4-Chlorphenyl)[2,6-dichlor-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl]acetonitril [German] [ACD/IUPAC Name]
benzeneacetonitrile, 2,6-dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-, (αS)- [ACD/Index Name]
(2S)-2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)phenyl]acetonitrile
(4-Chloro-phenyl)-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenyl]-acetonitrile
101831-37-2 [RN]
142004-16-8 [RN]
Diclazuril [BAN] [INN] [USAN] [Wiki]
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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: 1.702
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 289.48
ACD/KOC (pH 5.5): 1829.03
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 16.15
ACD/KOC (pH 7.4): 102.06
Polar Surface Area: 86 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 260.2±7.0 cm3

Click to predict properties on the Chemicalize site


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