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Search term: 113131-58-1 (Found by synonym)
ChemSpider 2D Image | 2,2':6',2''-Terpyridin-4'-yl methanesulfonate | C16H13N3O3S

2,2':6',2''-Terpyridin-4'-yl methanesulfonate

  • Molecular FormulaC16H13N3O3S
  • Average mass327.358 Da
  • Monoisotopic mass327.067749 Da
  • ChemSpider ID35519081

More details:

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

[2,2':6',2''-Terpyridin]-4'-ol, methanesulfonate (ester) [ACD/Index Name]
2,2':6',2''-Terpyridin-4'-yl methanesulfonate [ACD/IUPAC Name]
2,2':6',2''-Terpyridin-4'-yl-methansulfonat [German] [ACD/IUPAC Name]
Méthanesulfonate de 2,2':6',2''-terpyridin-4'-yle [French] [ACD/IUPAC Name]
113131-58-1 [RN]
4'-METHANESULFONO-2,2',6',2''-TERPYRIDINE
4'-Methanesulfono-2,2':6',2''-terpyridine
MFCD11042549

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 300.92
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.37
ACD/KOC (pH 7.4): 311.50
Polar Surface Area: 90 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 244.7±3.0 cm3

Click to predict properties on the Chemicalize site


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