ChemSpider 2D Image | 3-(2-Chlorobenzyl)-2,4(1H,3H)-pteridinedione | C13H9ClN4O2

3-(2-Chlorobenzyl)-2,4(1H,3H)-pteridinedione

  • Molecular FormulaC13H9ClN4O2
  • Average mass288.689 Da
  • Monoisotopic mass288.041412 Da
  • ChemSpider ID24595046

More details:

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

2,4(1H,3H)-Pteridinedione, 3-[(2-chlorophenyl)methyl]- [ACD/Index Name]
3-(2-Chlorbenzyl)-2,4(1H,3H)-pteridindion [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-2,4(1H,3H)-pteridinedione [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-2,4(1H,3H)-ptéridinedione [French] [ACD/IUPAC Name]
1223886-24-5 [RN]
3-(2-Chloro-benzyl)-1H-pteridine-2,4-dione
3-(2-chlorobenzyl)pteridine-2,4(1H,3H)-dione
MFCD14703289 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.72
ACD/KOC (pH 5.5): 325.46
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.68
ACD/KOC (pH 7.4): 324.99
Polar Surface Area: 75 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 193.1±3.0 cm3

Click to predict properties on the Chemicalize site


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