ChemSpider 2D Image | 5-[(3-Bromo-5-nitro-4-oxo-1(4H)-pyridinyl)methyl]-2-thiophenecarboxylic acid | C11H7BrN2O5S

5-[(3-Bromo-5-nitro-4-oxo-1(4H)-pyridinyl)methyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC11H7BrN2O5S
  • Average mass359.153 Da
  • Monoisotopic mass357.925903 Da
  • ChemSpider ID49712005

More details:

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

2-Thiophenecarboxylic acid, 5-[(3-bromo-5-nitro-4-oxo-1(4H)-pyridinyl)methyl]- [ACD/Index Name]
5-[(3-Brom-5-nitro-4-oxo-1(4H)-pyridinyl)methyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-[(3-Bromo-5-nitro-4-oxo-1(4H)-pyridinyl)methyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(3-bromo-5-nitro-4-oxo-1(4H)-pyridinyl)méthyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 526.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.1±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 185.8±5.0 cm3

Click to predict properties on the Chemicalize site


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