ChemSpider 2D Image | 2-{[(3-Chloro-4-methyl-5-nitrophenyl)sulfonyl]amino}-4-(trifluoromethyl)benzoic acid | C15H10ClF3N2O6S

2-{[(3-Chloro-4-methyl-5-nitrophenyl)sulfonyl]amino}-4-(trifluoromethyl)benzoic acid

  • Molecular FormulaC15H10ClF3N2O6S
  • Average mass438.763 Da
  • Monoisotopic mass437.990021 Da
  • ChemSpider ID24481001

More details:

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

2-{[(3-Chlor-4-methyl-5-nitrophenyl)sulfonyl]amino}-4-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
2-{[(3-Chloro-4-methyl-5-nitrophenyl)sulfonyl]amino}-4-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 2-{[(3-chloro-4-méthyl-5-nitrophényl)sulfonyl]amino}-4-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl]amino]-4-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 544.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.0±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 30.65
ACD/KOC (pH 5.5): 75.15
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 5.25
Polar Surface Area: 138 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site


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