ChemSpider 2D Image | 6-Bromo-3-methoxy-2-({[(E)-2-(4-methylphenyl)vinyl]sulfonyl}amino)benzoic acid | C17H16BrNO5S

6-Bromo-3-methoxy-2-({[(E)-2-(4-methylphenyl)vinyl]sulfonyl}amino)benzoic acid

  • Molecular FormulaC17H16BrNO5S
  • Average mass426.282 Da
  • Monoisotopic mass424.993256 Da
  • ChemSpider ID30252910

  • Double-bond stereo - Double-bond stereo

More details:

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

6-Brom-3-methoxy-2-({[(E)-2-(4-methylphenyl)vinyl]sulfonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
6-Bromo-3-methoxy-2-({[(E)-2-(4-methylphenyl)vinyl]sulfonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 6-bromo-3-méthoxy-2-({[(E)-2-(4-méthylphényl)vinyl]sulfonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 6-bromo-3-methoxy-2-[[[(E)-2-(4-methylphenyl)ethenyl]sulfonyl]amino]- [ACD/Index Name]
1376441-05-2 [RN]
6-BROMO-3-METHOXY-2-[(E)-2-(4-METHYLPHENYL)ETHENESULFONAMIDO]BENZOIC ACID
6-bromo-3-methoxy-2-[2-(4-methylphenyl)ethenesulfonamido]benzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 571.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 21.42
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 101 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 267.8±3.0 cm3

Click to predict properties on the Chemicalize site


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