ChemSpider 2D Image | 3-[2-Bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | C20H14BrN5O

3-[2-Bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile

  • Molecular FormulaC20H14BrN5O
  • Average mass420.262 Da
  • Monoisotopic mass419.038177 Da
  • ChemSpider ID24690847

More details:

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

3-[2-Brom-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-[2-Bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile [ACD/IUPAC Name]
3-[2-Bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylméthyl)phénoxy]-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methyl- [ACD/Index Name]
3-(2-bromo-4-{1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl}phenoxy)-5-methylbenzonitrile
pyrazolo[3,4-c]pyridazine, 10
PZ2

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 805.03
ACD/KOC (pH 5.5): 4098.63
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 212.78
ACD/KOC (pH 7.4): 1083.34
Polar Surface Area: 87 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 262.0±5.0 cm3

Click to predict properties on the Chemicalize site


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