ChemSpider 2D Image | (2R)-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl](4-fluorophenyl)acetonitrile | C17H9Cl2FN4O2

(2R)-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl](4-fluorophenyl)acetonitrile

  • Molecular FormulaC17H9Cl2FN4O2
  • Average mass391.183 Da
  • Monoisotopic mass390.008667 Da
  • ChemSpider ID34994396

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-[2,6-Dichlor-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl](4-fluorphenyl)acetonitril [German] [ACD/IUPAC Name]
(2R)-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl](4-fluorophenyl)acetonitrile [ACD/IUPAC Name]
(2R)-[2,6-Dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phényl](4-fluorophényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-α-(4-fluorophenyl)-, (αR)- [ACD/Index Name]
103337-74-2 [RN]
letrazuril [INN]
UNII-U8736VCB22

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 48.36
ACD/KOC (pH 5.5): 507.89
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 28.27
Polar Surface Area: 86 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 253.7±7.0 cm3

Click to predict properties on the Chemicalize site


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