ChemSpider 2D Image | 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1,2-propanediol | C8H13BrN2O2

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1,2-propanediol

  • Molecular FormulaC8H13BrN2O2
  • Average mass249.105 Da
  • Monoisotopic mass248.016037 Da
  • ChemSpider ID32685985

More details:

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

1,2-Propanediol, 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)- [ACD/Index Name]
3-(4-Brom-3,5-dimethyl-1H-pyrazol-1-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1,2-propanediol [ACD/IUPAC Name]
3-(4-Bromo-3,5-diméthyl-1H-pyrazol-1-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
1346818-84-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 412.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 203.2±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 52.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.30
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 70.30
Polar Surface Area: 58 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 153.7±7.0 cm3

Click to predict properties on the Chemicalize site


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