ChemSpider 2D Image | 4-Bromo-5-chloro-1-methyl-1H-pyrazole-3-carboxylic acid | C5H4BrClN2O2

4-Bromo-5-chloro-1-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC5H4BrClN2O2
  • Average mass239.454 Da
  • Monoisotopic mass237.914459 Da
  • ChemSpider ID45629437

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-bromo-5-chloro-1-methyl- [ACD/Index Name]
4-Brom-5-chlor-1-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-Bromo-5-chloro-1-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-bromo-5-chloro-1-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1780105-56-7 [RN]
MFCD28650715

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

Density: 2.1±0.1 g/cm3
Boiling Point: 368.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 176.6±27.9 °C
Index of Refraction: 1.681
Molar Refractivity: 43.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 115.5±7.0 cm3

Click to predict properties on the Chemicalize site


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