ChemSpider 2D Image | KB-130015 | C18H14I2O4

KB-130015

  • Molecular FormulaC18H14I2O4
  • Average mass548.110 Da
  • Monoisotopic mass547.898132 Da
  • ChemSpider ID8047892

More details:

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

{2,6-Diiod-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
{2,6-Diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy}acetic acid [ACD/IUPAC Name]
147030-48-6 [RN]
9YA9HD8JR2
Acetic acid, 2-[2,6-diiodo-4-[(2-methyl-3-benzofuranyl)methyl]phenoxy]- [ACD/Index Name]
Acide {2,6-diiodo-4-[(2-méthyl-1-benzofuran-3-yl)méthyl]phénoxy}acétique [French] [ACD/IUPAC Name]
KB-130015
[2,6-Diiodo-4-(2-methyl-benzofuran-3-ylmethyl)-phenoxy]-acetic acid
2-(2,6-diiodo-4-((2-methylbenzofuran-3-yl)methyl)phenoxy)acetic acid
2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxyacetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 604.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 33.23
ACD/KOC (pH 5.5): 83.33
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 60 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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