ChemSpider 2D Image | 8-chlorotheophylline anion | C7H6ClN4O2

8-chlorotheophylline anion

  • Molecular FormulaC7H6ClN4O2
  • Average mass213.602 Da
  • Monoisotopic mass213.018478 Da
  • ChemSpider ID26331723

  • Charge - Charge

More details:

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

8-chlorotheophylline anion
1,3-dimethyl-8-chloroxanthine anion
1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, ion(1-) [ACD/Index Name]
8-Chlor-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-id [German] [ACD/IUPAC Name]
8-Chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide [ACD/IUPAC Name]
8-Chloro-1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydropurin-7-ide [French] [ACD/IUPAC Name]
teoclas [Latin] [INN]
teoclate [INN]
téoclate [French] [INN]
teoclato [Spanish] [INN]
More...

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

3678329 [DBID]
  • Miscellaneous

    • Chemical Class:

      The anion resulting from the removal of the proton fron the purine ring of 8-chlorotheophylline. ChEBI CHEBI:59778

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

Density:
Boiling Point: 455.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 36.14
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 54 Å2
Polarizability:
Surface Tension:
Molar Volume:

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