ChemSpider 2D Image | anle138b | C16H11BrN2O2

anle138b

  • Molecular FormulaC16H11BrN2O2
  • Average mass343.175 Da
  • Monoisotopic mass342.000397 Da
  • ChemSpider ID58825097

More details:

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

1H-Pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-(3-bromophényl)-1H-pyrazole [French] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-5-(3-bromphenyl)-1H-pyrazol [German] [ACD/IUPAC Name]
3-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole
5-(1,3-Benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole
882697-00-9 [RN]
Anle 138b
anle138b
CID 44608289
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 527.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 514.59
ACD/KOC (pH 5.5): 3036.96
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 514.70
ACD/KOC (pH 7.4): 3037.62
Polar Surface Area: 47 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 218.9±3.0 cm3

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