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Search term: QJOXPOLQKMNMLN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid | C14H7F4N3O2S

2-[3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC14H7F4N3O2S
  • Average mass357.283 Da
  • Monoisotopic mass357.019501 Da
  • ChemSpider ID76755030

More details:

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

2-[3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
2-[3-(4-Fluorphenyl)-5-(trifluormethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
Acide 2-[3-(4-fluorophényl)-5-(trifluorométhyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 542.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 8.47
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 96 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 218.7±7.0 cm3

Click to predict properties on the Chemicalize site


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