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ChemSpider 2D Image | marinopyrrole C | C22H11Cl5N2O4

marinopyrrole C

  • Molecular FormulaC22H11Cl5N2O4
  • Average mass544.599 Da
  • Monoisotopic mass541.916138 Da
  • ChemSpider ID26324641

More details:

Featured data source
Natural Product Updates

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

(5-Chlor-2-hydroxyphenyl)[2,3,4',5'-tetrachlor-5-(2-hydroxybenzoyl)-1'H-1,3'-bipyrrol-2'-yl]methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-hydroxyphenyl)[2,3,4',5'-tetrachloro-5-(2-hydroxybenzoyl)-1'H-1,3'-bipyrrol-2'-yl]methanone [ACD/IUPAC Name]
(5-Chloro-2-hydroxyphényl)[2,3,4',5'-tétrachloro-5-(2-hydroxybenzoyl)-1'H-1,3'-bipyrrol-2'-yl]méthanone [French] [ACD/IUPAC Name]
marinopyrrole C
Methanone, (5-chloro-2-hydroxyphenyl)[2,3,4',5'-tetrachloro-5-(2-hydroxybenzoyl)[1,3'-bi-1H-pyrrol]-2'-yl]- [ACD/Index Name]
E'AGN-PC-07NF8H'

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

Density: 1.7±0.1 g/cm3
Boiling Point: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 414.8±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 180962.42
ACD/KOC (pH 5.5): 197466.36
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 14608.93
ACD/KOC (pH 7.4): 15941.28
Polar Surface Area: 95 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 323.5±7.0 cm3

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