ChemSpider 2D Image | 5-[(Trifluoromethyl)sulfanyl]nicotinic acid | C7H4F3NO2S

5-[(Trifluoromethyl)sulfanyl]nicotinic acid

  • Molecular FormulaC7H4F3NO2S
  • Average mass223.172 Da
  • Monoisotopic mass222.991486 Da
  • ChemSpider ID28421318

More details:

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

1204234-63-8 [RN]
3-Pyridinecarboxylic acid, 5-[(trifluoromethyl)thio]- [ACD/Index Name]
5-[(Trifluormethyl)sulfanyl]nicotinsäure [German] [ACD/IUPAC Name]
5-[(Trifluoromethyl)sulfanyl]nicotinic acid [ACD/IUPAC Name]
5-[(Trifluoromethyl)thio]-3-pyridinecarboxylic acid
Acide 5-[(trifluorométhyl)sulfanyl]nicotinique [French] [ACD/IUPAC Name]
5-((Trifluoromethyl)thio)nicotinic acid
5-(Trifluoromethylthio)-3-pyridinecarboxylic acid
5-[(Trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid
5-Trifluoromethylsulfanyl-nicotinic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 252.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 106.7±27.3 °C
Index of Refraction: 1.538
Molar Refractivity: 43.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 140.2±5.0 cm3

Click to predict properties on the Chemicalize site


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