ChemSpider 2D Image | 4,5-Dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid | C16H12Cl2N4O7S2

4,5-Dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid

  • Molecular FormulaC16H12Cl2N4O7S2
  • Average mass507.325 Da
  • Monoisotopic mass505.952454 Da
  • ChemSpider ID151896

  • Double-bond stereo - Double-bond stereo

More details:

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

4,5-Dichlor-2-{(E)-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzolsulfonsäure [German] [ACD/IUPAC Name]
4,5-Dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
4,5-Dichloro-2-{(E)-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonic acid [ACD/IUPAC Name]
65212-84-2 [RN]
Acide 4,5-dichloro-2-{(E)-[3-méthyl-5-oxo-1-(3-sulfophényl)-4,5-dihydro-1H-pyrazol-4-yl]diazényl}benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4,5-dichloro-2-[(E)-2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]- [ACD/Index Name]
4,5-dichloro-2-[(E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl]benzene-1-sulfonic acid
4,5-dichloro-2-[(E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazen-1-yl]benzenesulfonic acid
4,5-Dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonic acid, 9CI
4,5-Dichloro-2-[[5-hydroxy-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 78.0±7.0 dyne/cm
Molar Volume: 279.5±7.0 cm3

Click to predict properties on the Chemicalize site


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