ChemSpider 2D Image | Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate | C9H13BrN2O2

Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28942897

More details:






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

1401319-07-0 [RN]
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-3-(1-methylethyl)-, methyl ester [ACD/Index Name]
4-Bromo-3-isopropyl-1-méthyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 4-bromo-1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylate
Methyl 4-bromo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-3-isopropyl-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-5-isopropyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester
AKOS015997227
BBL033303
c9h13brn2o2
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 320.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.6±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.44
ACD/KOC (pH 5.5): 465.41
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.44
ACD/KOC (pH 7.4): 465.41
Polar Surface Area: 44 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 37.6±7.0 dyne/cm
Molar Volume: 177.3±7.0 cm3

Click to predict properties on the Chemicalize site






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