ChemSpider 2D Image | 4-[(3-Bromo-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid | C11H7BrN2O5S

4-[(3-Bromo-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid

  • Molecular FormulaC11H7BrN2O5S
  • Average mass359.153 Da
  • Monoisotopic mass357.925903 Da
  • ChemSpider ID52813015

More details:

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

2-Thiazolecarboxylic acid, 4-[(3-bromo-5-nitrophenoxy)methyl]- [ACD/Index Name]
4-[(3-Brom-5-nitrophenoxy)methyl]-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-[(3-Bromo-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(3-bromo-5-nitrophénoxy)méthyl]-1,3-thiazole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 562.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.9±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement