ChemSpider 2D Image | 3-(7-Chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylic acid | C11H6ClNO5

3-(7-Chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylic acid

  • Molecular FormulaC11H6ClNO5
  • Average mass267.622 Da
  • Monoisotopic mass266.993439 Da
  • ChemSpider ID34469595

More details:

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

3-(7-Chlor-1,3-benzodioxol-5-yl)-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(7-Chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
5-Isoxazolecarboxylic acid, 3-(7-chloro-1,3-benzodioxol-5-yl)- [ACD/Index Name]
Acide 3-(7-chloro-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
1094284-25-9 [RN]
3-(7-chloro-1,3-dioxaindan-5-yl)-1,2-oxazole-5-carboxylic acid
3-(7-chloro-2H-1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxylic acid
MFCD11540405

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

Density: 1.6±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 166.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement