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Search term: LJGHEYPEOBFKEZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-Bromo-3-(3-methylbutyl)-1H-pyrazole-5-carboxylic acid | C9H13BrN2O2

4-Bromo-3-(3-methylbutyl)-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC9H13BrN2O2
  • Average mass261.116 Da
  • Monoisotopic mass260.016022 Da
  • ChemSpider ID28943605

More details:






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

1491132-35-4 [RN]
4-Brom-3-(3-methylbutyl)-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(3-methylbutyl)-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-bromo-3-(3-méthylbutyl)-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 4-bromo-3-(3-methylbutyl)- [ACD/Index Name]
4-bromo-3-isopentyl-1H-pyrazole-5-carboxylic acid
4-bromo-5-(3-methylbutyl)-1H-pyrazole-3-carboxylic acid
4-Bromo-5-(3-methyl-butyl)-2H-pyrazole-3-carboxylic acid
4-BROMO-5-(3-METHYLBUTYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
AGN-PC-0DB0EA
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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: 414.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.6±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 172.4±3.0 cm3

Click to predict properties on the Chemicalize site






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