ChemSpider 2D Image | marinopyrrole E | C22H11BrCl4N2O4

marinopyrrole E

  • Molecular FormulaC22H11BrCl4N2O4
  • Average mass589.050 Da
  • Monoisotopic mass585.865601 Da
  • ChemSpider ID26324643

More details:

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

[5-(5-Brom-2-hydroxybenzoyl)-2,3,4',5'-tetrachlor-1'H-1,3'-bipyrrol-2'-yl](2-hydroxyphenyl)methanon [German] [ACD/IUPAC Name]
[5-(5-Bromo-2-hydroxybenzoyl)-2,3,4',5'-tetrachloro-1'H-1,3'-bipyrrol-2'-yl](2-hydroxyphenyl)methanone [ACD/IUPAC Name]
[5-(5-Bromo-2-hydroxybenzoyl)-2,3,4',5'-tétrachloro-1'H-1,3'-bipyrrol-2'-yl](2-hydroxyphényl)méthanone [French] [ACD/IUPAC Name]
marinopyrrole E
Methanone, [5-(5-bromo-2-hydroxybenzoyl)-2,3,4',5'-tetrachloro[1,3'-bi-1H-pyrrol]-2'-yl](2-hydroxyphenyl)- [ACD/Index Name]
E'AGN-PC-07NF8J'

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

Density: 1.8±0.1 g/cm3
Boiling Point: 767.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 184357.08
ACD/KOC (pH 5.5): 199249.83
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 12150.82
ACD/KOC (pH 7.4): 13132.39
Polar Surface Area: 95 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 326.8±7.0 cm3

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