ChemSpider 2D Image | 6-Chloro-2-(methylsulfanyl)nicotinic acid | C7H6ClNO2S

6-Chloro-2-(methylsulfanyl)nicotinic acid

  • Molecular FormulaC7H6ClNO2S
  • Average mass203.646 Da
  • Monoisotopic mass202.980774 Da
  • ChemSpider ID28546950

More details:

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

1343727-62-7 [RN]
3-Pyridinecarboxylic acid, 6-chloro-2-(methylthio)- [ACD/Index Name]
6-Chlor-2-(methylsulfanyl)nicotinsäure [German] [ACD/IUPAC Name]
6-Chloro-2-(methylsulfanyl)nicotinic acid [ACD/IUPAC Name]
6-chloro-2-(methylsulfanyl)pyridine-3-carboxylic acid
Acide 6-chloro-2-(méthylsulfanyl)nicotinique [French] [ACD/IUPAC Name]
MFCD18343703

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

Density: 1.5±0.1 g/cm3
Boiling Point: 357.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 170.0±27.9 °C
Index of Refraction: 1.633
Molar Refractivity: 48.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 135.3±5.0 cm3

Click to predict properties on the Chemicalize site


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