ChemSpider 2D Image | Methyl 2-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-iodobenzoate | C13H12IN5O6S

Methyl 2-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-iodobenzoate

  • Molecular FormulaC13H12IN5O6S
  • Average mass493.234 Da
  • Monoisotopic mass492.955292 Da
  • ChemSpider ID71047156

More details:

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

2-{[(4-Hydroxy-6-méthyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-iodobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-4-iodo-, methyl ester [ACD/Index Name]
Methyl 2-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-iodobenzoate [ACD/IUPAC Name]
Methyl-2-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}-4-iodbenzoat [German] [ACD/IUPAC Name]
AE F145741

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 85.7±3.0 dyne/cm
Molar Volume: 255.3±3.0 cm3

Click to predict properties on the Chemicalize site


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