Found 193 results

Search term: MF = 'C_{13}H_{10}F_{3}N_{3}O_{3}S'
ChemSpider 2D Image | 6-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine | C13H10F3N3O3S

6-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

  • Molecular FormulaC13H10F3N3O3S
  • Average mass345.297 Da
  • Monoisotopic mass345.039490 Da
  • ChemSpider ID30759191

More details:

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

5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-6-[[4-(trifluoromethoxy)phenyl]sulfonyl]- [ACD/Index Name]
6-{[4-(Trifluormethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-{[4-(Trifluorométhoxy)phényl]sulfonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1448134-85-7 [RN]
6-((4-(trifluoromethoxy)phenyl)sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
6-[4-(trifluoromethoxy)benzenesulfonyl]-5H,6H,7H-pyrrolo[3,4-d]pyrimidine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.4±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.65
ACD/KOC (pH 5.5): 314.43
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.65
ACD/KOC (pH 7.4): 314.47
Polar Surface Area: 81 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 223.7±3.0 cm3

Click to predict properties on the Chemicalize site


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