ChemSpider 2D Image | mk-6186 | C21H12Cl2N6O

mk-6186

  • Molecular FormulaC21H12Cl2N6O
  • Average mass435.266 Da
  • Monoisotopic mass434.044952 Da
  • ChemSpider ID28424190

More details:

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

mk-6186
1034474-19-5 [RN]
3-((1-((2H-pyrazolo[3,4-b]pyridin-3-yl)methyl)-5-chloro-1H-indazol-4-yl)oxy)-5-chlorobenzonitrile
3-(1-((1H-pyrazolo[3,4-b]pyridin-3-yl)methyl)-5-chloro-1H-indazol-4-yloxy)-5-chlorobenzonitrile
3-Chlor-5-{[5-chlor-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-indazol-4-yl]oxy}benzonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[5-chloro-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-indazol-4-yl]oxy}benzonitrile [ACD/IUPAC Name]
3-Chloro-5-{[5-chloro-1-(1H-pyrazolo[3,4-b]pyridin-3-ylméthyl)-1H-indazol-4-yl]oxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-5-[[5-chloro-1-(1H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-indazol-4-yl]oxy]- [ACD/Index Name]
UNII:K3978U665M

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

K3978U665M [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.8±31.5 °C
Index of Refraction: 1.763
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2756.25
ACD/KOC (pH 5.5): 10088.98
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2714.72
ACD/KOC (pH 7.4): 9936.97
Polar Surface Area: 92 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 279.4±7.0 cm3

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