Found 26 results

Search term: MF = 'C_{9}H_{5}ClF_{3}N_{5}O'
ChemSpider 2D Image | 4-[2-Chloro-6-(trifluoromethyl)-7H-purin-8-yl]-2-azetidinone | C9H5ClF3N5O

4-[2-Chloro-6-(trifluoromethyl)-7H-purin-8-yl]-2-azetidinone

  • Molecular FormulaC9H5ClF3N5O
  • Average mass291.617 Da
  • Monoisotopic mass291.013458 Da
  • ChemSpider ID86292911

More details:

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

2-Azetidinone, 4-[2-chloro-6-(trifluoromethyl)-7H-purin-8-yl]- [ACD/Index Name]
4-[2-Chlor-6-(trifluormethyl)-7H-purin-8-yl]-2-azetidinon [German] [ACD/IUPAC Name]
4-[2-Chloro-6-(trifluoromethyl)-7H-purin-8-yl]-2-azetidinone [ACD/IUPAC Name]
4-[2-Chloro-6-(trifluorométhyl)-7H-purin-8-yl]-2-azétidinone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.52
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 84 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 165.3±3.0 cm3

Click to predict properties on the Chemicalize site


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