ChemSpider 2D Image | MFCD01879966 | C17H17BrN6O3

MFCD01879966

  • Molecular FormulaC17H17BrN6O3
  • Average mass433.259 Da
  • Monoisotopic mass432.054535 Da
  • ChemSpider ID21490124

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(2E)-2-(5-Brom-2-hydroxybenzyliden)hydrazino]-3-methyl-7-(2-methyl-2-propen-1-yl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(5-Bromo-2-hydroxybenzylidene)hydrazino]-3-methyl-7-(2-methyl-2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(5-Bromo-2-hydroxybenzylidène)hydrazino]-3-méthyl-7-(2-méthyl-2-propén-1-yl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 5-bromo-2-hydroxy-, 1-[2-[2,3,6,7-tetrahydro-3-methyl-7-(2-methyl-2-propen-1-yl)-2,6-dioxo-1H-purin-8-yl]hydrazone] [ACD/Index Name]
MFCD01879966
5-BROMO-2-HYDROXYBENZALDEHYDE [3-METHYL-7-(2-METHYL-2-PROPENYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 381.12
ACD/KOC (pH 5.5): 2445.86
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 263.69
ACD/KOC (pH 7.4): 1692.25
Polar Surface Area: 112 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 262.9±7.0 cm3

Click to predict properties on the Chemicalize site


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