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

ChemSpider 2D Image | 3-Nitro-5-{[4-(trifluoromethyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}benzoic acid | C14H11F3N2O5

3-Nitro-5-{[4-(trifluoromethyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}benzoic acid

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID54365160

More details:






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

3-Nitro-5-{[4-(trifluormethyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
3-Nitro-5-{[4-(trifluoromethyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 3-nitro-5-{[4-(trifluorométhyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3,6-dihydro-4-(trifluoromethyl)-1(2H)-pyridinyl]carbonyl]-5-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.17
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 223.3±3.0 cm3

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