ChemSpider 2D Image | 2-[(4-Bromo-2-chlorophenyl)amino]-2-oxoethyl (1,3,5-trimethyl-1H-pyrazol-4-yl)acetate | C16H17BrClN3O3

2-[(4-Bromo-2-chlorophenyl)amino]-2-oxoethyl (1,3,5-trimethyl-1H-pyrazol-4-yl)acetate

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID33072984

More details:

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

(1,3,5-Triméthyl-1H-pyrazol-4-yl)acétate de 2-[(4-bromo-2-chlorophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-acetic acid, 1,3,5-trimethyl-, 2-[(4-bromo-2-chlorophenyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(4-Brom-2-chlorphenyl)amino]-2-oxoethyl-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetat [German] [ACD/IUPAC Name]
2-[(4-Bromo-2-chlorophenyl)amino]-2-oxoethyl (1,3,5-trimethyl-1H-pyrazol-4-yl)acetate [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 95.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 265.40
ACD/KOC (pH 5.5): 1889.71
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 265.81
ACD/KOC (pH 7.4): 1892.61
Polar Surface Area: 73 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 273.7±7.0 cm3

Click to predict properties on the Chemicalize site


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