ChemSpider 2D Image | 4-[(2-Chloro-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid | C11H7ClN2O5S

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

  • Molecular FormulaC11H7ClN2O5S
  • Average mass314.702 Da
  • Monoisotopic mass313.976410 Da
  • ChemSpider ID44619428

More details:

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

2-Thiazolecarboxylic acid, 4-[(2-chloro-5-nitrophenoxy)methyl]- [ACD/Index Name]
4-[(2-Chlor-5-nitrophenoxy)methyl]-1,3-thiazol-2-carbonsäure [German] [ACD/IUPAC Name]
4-[(2-Chloro-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(2-chloro-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: 1.6±0.1 g/cm3
Boiling Point: 558.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.8±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 193.2±3.0 cm3

Click to predict properties on the Chemicalize site


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