Found 3 results

Search term: QBXCMPGTAQFTFT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(3,5-Dimethyl-1,2-oxazol-4-yl)diazenyl]benzoic acid | C12H11N3O3

2-[(3,5-Dimethyl-1,2-oxazol-4-yl)diazenyl]benzoic acid

  • Molecular FormulaC12H11N3O3
  • Average mass245.234 Da
  • Monoisotopic mass245.080048 Da
  • ChemSpider ID21126598

More details:

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

2-[(3,5-Dimethyl-1,2-oxazol-4-yl)diazenyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)diazenyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(3,5-diméthyl-1,2-oxazol-4-yl)diazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-(3,5-dimethyl-4-isoxazolyl)diazenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 246.1±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 42.68
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 88 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 182.3±7.0 cm3

Click to predict properties on the Chemicalize site


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