ChemSpider 2D Image | 4-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid | C6H5F2NO2S

4-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC6H5F2NO2S
  • Average mass193.171 Da
  • Monoisotopic mass193.000900 Da
  • ChemSpider ID45465885

More details:

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

2-Thiazolecarboxylic acid, 4-(1,1-difluoroethyl)- [ACD/Index Name]
4-(1,1-Difluorethyl)-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-(1,1-difluoroéthyl)-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]
1780878-51-4 [RN]
4-(1,1-difluoroethyl)-1,3-thiazole-2-carboxylicacid
MFCD28555841

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

Density: 1.5±0.1 g/cm3
Boiling Point: 328.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 152.7±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 129.2±3.0 cm3

Click to predict properties on the Chemicalize site


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