ChemSpider 2D Image | 1-(4-Chloro-3-fluorobenzyl)-6-[(3-fluoro-4-isopropoxyphenyl)amino]-3-(2-hydroxyethyl)-1,3,5-triazine-2,4(1H,3H)-dione | C21H21ClF2N4O4

1-(4-Chloro-3-fluorobenzyl)-6-[(3-fluoro-4-isopropoxyphenyl)amino]-3-(2-hydroxyethyl)-1,3,5-triazine-2,4(1H,3H)-dione

  • Molecular FormulaC21H21ClF2N4O4
  • Average mass466.866 Da
  • Monoisotopic mass466.121948 Da
  • ChemSpider ID61720669

More details:

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

1-(4-Chlor-3-fluorbenzyl)-6-[(3-fluor-4-isopropoxyphenyl)amino]-3-(2-hydroxyethyl)-1,3,5-triazin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
1-(4-Chloro-3-fluorobenzyl)-6-[(3-fluoro-4-isopropoxyphenyl)amino]-3-(2-hydroxyethyl)-1,3,5-triazine-2,4(1H,3H)-dione [ACD/IUPAC Name]
1-(4-Chloro-3-fluorobenzyl)-6-[(3-fluoro-4-isopropoxyphényl)amino]-3-(2-hydroxyéthyl)-1,3,5-triazine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
1,3,5-Triazine-2,4(1H,3H)-dione, 1-[(4-chloro-3-fluorophenyl)methyl]-6-[[3-fluoro-4-(1-methylethoxy)phenyl]amino]-3-(2-hydroxyethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 573.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.5±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.76
ACD/KOC (pH 5.5): 828.16
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.76
ACD/KOC (pH 7.4): 828.16
Polar Surface Area: 94 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 327.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement