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Search term: CRKZOMMPDOLCMT-UFFVCSGVSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-[(E)-(3,5-Dibromo-2-hydroxybenzylidene)amino]-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide | C18H14Br2N4O4S

4-[(E)-(3,5-Dibromo-2-hydroxybenzylidene)amino]-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide

  • Molecular FormulaC18H14Br2N4O4S
  • Average mass542.201 Da
  • Monoisotopic mass539.910217 Da
  • ChemSpider ID21475394
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(E)-(3,5-Dibrom-2-hydroxybenzyliden)amino]-N-(6-methoxy-3-pyridazinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-[(E)-(3,5-Dibromo-2-hydroxybenzylidene)amino]-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide [ACD/IUPAC Name]
4-[(E)-(3,5-Dibromo-2-hydroxybenzylidène)amino]-N-(6-méthoxy-3-pyridazinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino]-N-(6-methoxy-3-pyridazinyl)- [ACD/Index Name]
({4-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]phenyl}sulfonyl)(6-methox ypyridazin-3-yl)amine
({4-[(1E)-2-(3,5-dibromo-2-hydroxyphenyl)-1-azavinyl]phenyl}sulfonyl)(6-methoxypyridazin-3-yl)amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 694.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 373.9±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 799.65
ACD/KOC (pH 5.5): 3777.62
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 14.07
ACD/KOC (pH 7.4): 66.49
Polar Surface Area: 122 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 303.8±7.0 cm3

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