Found 5 results

Search term: MF = 'C_{17}H_{15}ClF_{4}N_{6}O'
ChemSpider 2D Image | 3-(2-Chlorobenzyl)-5-(2,2-difluoroethoxy)-7-(3,3-difluoro-1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine | C17H15ClF4N6O

3-(2-Chlorobenzyl)-5-(2,2-difluoroethoxy)-7-(3,3-difluoro-1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

  • Molecular FormulaC17H15ClF4N6O
  • Average mass430.787 Da
  • Monoisotopic mass430.093201 Da
  • ChemSpider ID128967724

More details:

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

3-(2-Chlorbenzyl)-5-(2,2-difluorethoxy)-7-(3,3-difluor-1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(2,2-difluoroethoxy)-7-(3,3-difluoro-1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-5-(2,2-difluoroéthoxy)-7-(3,3-difluoro-1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine [French] [ACD/IUPAC Name]
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 3-[(2-chlorophenyl)methyl]-5-(2,2-difluoroethoxy)-7-(3,3-difluoro-1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 592.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.8±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 96.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.51
ACD/KOC (pH 5.5): 906.68
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.66
ACD/KOC (pH 7.4): 917.53
Polar Surface Area: 69 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 265.3±7.0 cm3

Click to predict properties on the Chemicalize site


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