ChemSpider 2D Image | 7-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid | C16H14N2O9S

7-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

  • Molecular FormulaC16H14N2O9S
  • Average mass410.355 Da
  • Monoisotopic mass410.041992 Da
  • ChemSpider ID24069010

More details:

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

1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-7-[[(4-methoxy-3-nitrophenyl)sulfonyl]amino]- [ACD/Index Name]
7-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}-2,3-dihydro-1,4-benzodioxin-6-carbonsäure [German] [ACD/IUPAC Name]
7-{[(4-Methoxy-3-nitrophenyl)sulfonyl]amino}-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(4-méthoxy-3-nitrophényl)sulfonyl]amino}-2,3-dihydro-1,4-benzodioxine-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 625.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.3±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 19.26
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 165 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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