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Search term: JDSAVJOLSIWVGB-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Butoxy-2-hydroxy-3-iodo-4-(1H-pyrrol-1-yl)benzoic acid | C15H16INO4

5-Butoxy-2-hydroxy-3-iodo-4-(1H-pyrrol-1-yl)benzoic acid

  • Molecular FormulaC15H16INO4
  • Average mass401.196 Da
  • Monoisotopic mass401.012390 Da
  • ChemSpider ID90624613

More details:

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

5-Butoxy-2-hydroxy-3-iod-4-(1H-pyrrol-1-yl)benzoesäure [German] [ACD/IUPAC Name]
5-Butoxy-2-hydroxy-3-iodo-4-(1H-pyrrol-1-yl)benzoic acid [ACD/IUPAC Name]
Acide 5-butoxy-2-hydroxy-3-iodo-4-(1H-pyrrol-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-butoxy-2-hydroxy-3-iodo-4-(1H-pyrrol-1-yl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 484.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 247.0±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 11.24
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 10.62
Polar Surface Area: 72 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 243.0±7.0 cm3

Click to predict properties on the Chemicalize site


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