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Search term: PUBAFFUAAMJLGT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-{3-[(Difluoromethyl)sulfonyl]phenyl}-5-fluoro-3-methyl-1-benzofuran-2-carboxamide | C17H12F3NO4S

N-{3-[(Difluoromethyl)sulfonyl]phenyl}-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

  • Molecular FormulaC17H12F3NO4S
  • Average mass383.342 Da
  • Monoisotopic mass383.043915 Da
  • ChemSpider ID48055398

More details:






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

2-Benzofurancarboxamide, N-[3-[(difluoromethyl)sulfonyl]phenyl]-5-fluoro-3-methyl- [ACD/Index Name]
N-{3-[(Difluormethyl)sulfonyl]phenyl}-5-fluor-3-methyl-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-{3-[(Difluoromethyl)sulfonyl]phenyl}-5-fluoro-3-methyl-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-{3-[(Difluorométhyl)sulfonyl]phényl}-5-fluoro-3-méthyl-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
N-(3-DIFLUOROMETHANESULFONYLPHENYL)-5-FLUORO-3-METHYL-1-BENZOFURAN-2-CARBOXAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.54
ACD/KOC (pH 5.5): 790.86
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.53
ACD/KOC (pH 7.4): 790.83
Polar Surface Area: 85 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 258.7±3.0 cm3

Click to predict properties on the Chemicalize site






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