ChemSpider 2D Image | 6-Amino-4-(3,5-dibromo-2-hydroxyphenyl)-1,3-diethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C17H16Br2N4O2

6-Amino-4-(3,5-dibromo-2-hydroxyphenyl)-1,3-diethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC17H16Br2N4O2
  • Average mass468.142 Da
  • Monoisotopic mass465.963989 Da
  • ChemSpider ID120014307

More details:

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

6-Amino-4-(3,5-dibrom-2-hydroxyphenyl)-1,3-diethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-4-(3,5-dibromo-2-hydroxyphenyl)-1,3-diethyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-4-(3,5-dibromo-2-hydroxyphényl)-1,3-diéthyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3,5-dibromo-2-hydroxyphenyl)-1,3-diethyl-1,4-dihydro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 101.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 843.73
ACD/KOC (pH 5.5): 4304.81
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 374.00
ACD/KOC (pH 7.4): 1908.20
Polar Surface Area: 97 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 256.9±7.0 cm3

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