Found 2289 results

Search term: MF = 'C_{12}H_{10}F_{3}N_{3}O_{2}'
ChemSpider 2D Image | 5-Ethyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid | C12H10F3N3O2

5-Ethyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC12H10F3N3O2
  • Average mass285.222 Da
  • Monoisotopic mass285.072510 Da
  • ChemSpider ID23363478

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 5-ethyl-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-Ethyl-1-[3-(trifluormethyl)phenyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Ethyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-éthyl-1-[3-(trifluorométhyl)phényl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1017477-68-7] [RN]
1017477-68-7 [RN]
5-Ethyl-1-(3-trifluoromethyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
5-ethyl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid
BS-5158
MFCD10006867 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 420.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 196.8±7.0 cm3

Click to predict properties on the Chemicalize site


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