ChemSpider 2D Image | 5-[(3-Bromo-4-methyl-5-nitro-2-pyridinyl)sulfanyl]-2-furoic acid | C11H7BrN2O5S

5-[(3-Bromo-4-methyl-5-nitro-2-pyridinyl)sulfanyl]-2-furoic acid

  • Molecular FormulaC11H7BrN2O5S
  • Average mass359.153 Da
  • Monoisotopic mass357.925903 Da
  • ChemSpider ID50497581

More details:

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

2-Furancarboxylic acid, 5-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)thio]- [ACD/Index Name]
5-[(3-Brom-4-methyl-5-nitro-2-pyridinyl)sulfanyl]-2-furoesäure [German] [ACD/IUPAC Name]
5-[(3-Bromo-4-methyl-5-nitro-2-pyridinyl)sulfanyl]-2-furoic acid [ACD/IUPAC Name]
Acide 5-[(3-bromo-4-méthyl-5-nitro-2-pyridinyl)sulfanyl]-2-furoïque [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: 511.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.4±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.26
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 134 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 190.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement