ChemSpider 2D Image | 5-{[5-chloro-6-(1-methylindol-5-yl)-1H-1,3-benzodiazol-2-yl]oxy}-2-methylbenzoic acid | C24H18ClN3O3

5-{[5-chloro-6-(1-methylindol-5-yl)-1H-1,3-benzodiazol-2-yl]oxy}-2-methylbenzoic acid

  • Molecular FormulaC24H18ClN3O3
  • Average mass431.871 Da
  • Monoisotopic mass431.103668 Da
  • ChemSpider ID35035659

More details:

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

1219739-36-2 [RN]
5-[[6-Chloranyl-5-(1-Methylindol-5-Yl)-1h-Benzimidazol-2-Yl]oxy]-2-Methyl-Benzoic Acid
5-{[5-chloro-6-(1-methyl-1H-indol-5-yl)-1H-1,3-benzodiazol-2-yl]oxy}-2-methylbenzoic acid
5-{[5-chloro-6-(1-methylindol-5-yl)-1H-1,3-benzodiazol-2-yl]oxy}-2-methylbenzoic acid
5-{[6-Chlor-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-2-methylbenzoesäure [German] [ACD/IUPAC Name]
5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-1,3-benzodiazol-2-yl]oxy}-2-methylbenzoic acid
5-{[6-Chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-2-methylbenzoic acid [ACD/IUPAC Name]
Acide 5-{[6-chloro-5-(1-méthyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-2-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl- [ACD/Index Name]
Ex229
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

992 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 189.31
ACD/KOC (pH 5.5): 424.83
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 12.93
ACD/KOC (pH 7.4): 29.02
Polar Surface Area: 80 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 304.9±7.0 cm3

Click to predict properties on the Chemicalize site


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