PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | Methyl 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate | C10H13BrN2O3

Methyl 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC10H13BrN2O3
  • Average mass289.126 Da
  • Monoisotopic mass288.010956 Da
  • ChemSpider ID29784342

More details:






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

1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-, methyl ester [ACD/Index Name]
5-Bromo-1-(tétrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-brom-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1434142-09-2 [RN]
Chemistry 9313
methyl 5-bromo-1-(oxan-2-yl)-1H-pyrazole-4-carboxylate
Methyl 5-bromo-1-(oxan-2-yl)pyrazole-4-carboxylate
Methyl 5-bromo-1-(tetrahydropyran-2-yl)-1H-pyrazole-4-carboxylate
Methyl 5-bromo-1-tetrahydropyran-2-yl-pyrazole-4-carboxylate
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.3±27.9 °C
Index of Refraction: 1.625
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.68
ACD/KOC (pH 5.5): 304.28
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.68
ACD/KOC (pH 7.4): 304.28
Polar Surface Area: 53 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 174.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement