ChemSpider 2D Image | 4-[(E)-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate | C19H10Cl2N8O9S2

4-[(E)-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC19H10Cl2N8O9S2
  • Average mass629.368 Da
  • Monoisotopic mass627.940002 Da
  • ChemSpider ID95607290

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-[(E)-2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, ion(2-) [ACD/Index Name]
4-[(E)-{4-[(4,6-Dichlor-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
4-[(E)-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl}diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
4-[(E)-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophényl}diazényl]-5-oxo-1-(4-sulfonatophényl)-4,5-dihydro-1H-pyrazole-3-carboxylate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -6.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability:
Surface Tension:
Molar Volume:

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