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Search term: PILIZHLSOWYJPQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{Hydroxy[4-(methylsulfonyl)-2-nitrophenyl]methylene}-1,3-cyclohexanedione | C14H13NO7S

2-{Hydroxy[4-(methylsulfonyl)-2-nitrophenyl]methylene}-1,3-cyclohexanedione

  • Molecular FormulaC14H13NO7S
  • Average mass339.320 Da
  • Monoisotopic mass339.041260 Da
  • ChemSpider ID128946167

More details:

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

1,3-Cyclohexanedione, 2-[hydroxy[4-(methylsulfonyl)-2-nitrophenyl]methylene]- [ACD/Index Name]
104206-82-8 [RN]
2-[hydroxy(4-methanesulfonyl-2-nitrophenyl)methylidene]cyclohexane-1,3-dione
2-{Hydroxy[4-(methylsulfonyl)-2-nitrophenyl]methylen}-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-{Hydroxy[4-(methylsulfonyl)-2-nitrophenyl]methylene}-1,3-cyclohexanedione [ACD/IUPAC Name]
2-{Hydroxy[4-(méthylsulfonyl)-2-nitrophényl]méthylène}-1,3-cyclohexanedione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.2±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.52
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 221.7±3.0 cm3

Click to predict properties on the Chemicalize site


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