ChemSpider 2D Image | 2-{[3-(Trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid | C11H7F3N2O2S

2-{[3-(Trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC11H7F3N2O2S
  • Average mass288.246 Da
  • Monoisotopic mass288.018036 Da
  • ChemSpider ID25444965

More details:

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

2-{[3-(Trifluormethyl)phenyl]amino}-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-{[3-(Trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
Acide 2-{[3-(trifluorométhyl)phényl]amino}-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
1172391-60-4 [RN]
2-((3-(Trifluoromethyl)phenyl)amino)-1,3-thiazole-4-carboxylic acid
2-(3-Trifluoromethyl-phenylamino)-thiazole-4-carboxylic acid
MFCD11908659 [MDL number]
MS-9641

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

Density: 1.6±0.1 g/cm3
Boiling Point: 418.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.7±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 26.71
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 90 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 184.2±3.0 cm3

Click to predict properties on the Chemicalize site


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