ChemSpider 2D Image | 3-{[(3,6-Dichloro-1-benzothiophen-2-yl)carbonyl]amino}-2-hydroxy-2-methylpropanoic acid | C13H11Cl2NO4S

3-{[(3,6-Dichloro-1-benzothiophen-2-yl)carbonyl]amino}-2-hydroxy-2-methylpropanoic acid

  • Molecular FormulaC13H11Cl2NO4S
  • Average mass348.202 Da
  • Monoisotopic mass346.978577 Da
  • ChemSpider ID69363431

More details:

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

3-{[(3,6-Dichlor-1-benzothiophen-2-yl)carbonyl]amino}-2-hydroxy-2-methylpropansäure [German] [ACD/IUPAC Name]
3-{[(3,6-Dichloro-1-benzothiophen-2-yl)carbonyl]amino}-2-hydroxy-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-{[(3,6-dichloro-1-benzothiophén-2-yl)carbonyl]amino}-2-hydroxy-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3,6-dichlorobenzo[b]thien-2-yl)carbonyl]amino]-2-hydroxy-2-methyl- [ACD/Index 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: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.27
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

Click to predict properties on the Chemicalize site


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