Found 1 result

Search term: NBLAXGSFTMZALE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Bromo-1-(isobutoxymethyl)-2,4(1H,3H)-pyrimidinedione | C9H13BrN2O3

5-Bromo-1-(isobutoxymethyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H13BrN2O3
  • Average mass277.115 Da
  • Monoisotopic mass276.010956 Da
  • ChemSpider ID21836052

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[(2-methylpropoxy)methyl]- [ACD/Index Name]
5-Brom-1-(isobutoxymethyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Bromo-1-(isobutoxymethyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Bromo-1-(isobutoxyméthyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-Bromo-1-(isobutoxymethyl)pyrimidine-2,4(1H,3H)-dione
5-bromo-1-[(2-methylpropoxy)methyl]pyrimidine-2,4(1H,3H)-dione
5-Bromo-1-isobutoxymethyl-1H-pyrimidine-2,4-dione

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: 1.535
Molar Refractivity: 57.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 95.13
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 64.14
Polar Surface Area: 59 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 186.0±3.0 cm3

Click to predict properties on the Chemicalize site


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