Found 19 results

Search term: MF = 'C_{21}H_{13}BrN_{2}O_{2}S'
ChemSpider 2D Image | 2-[2-(4-Bromophenyl)-4-hydroxy-5-oxo-3-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile | C21H13BrN2O2S

2-[2-(4-Bromophenyl)-4-hydroxy-5-oxo-3-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile

  • Molecular FormulaC21H13BrN2O2S
  • Average mass437.309 Da
  • Monoisotopic mass435.988098 Da
  • ChemSpider ID59995226

More details:

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

2-[2-(4-Bromophenyl)-4-hydroxy-5-oxo-3-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [ACD/IUPAC Name]
2-[2-(4-Bromophényl)-4-hydroxy-5-oxo-3-(2-thiényl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [French] [ACD/IUPAC Name]
2-[2-(4-Bromphenyl)-4-hydroxy-5-oxo-3-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-5-oxo-3-(2-thienyl)-1H-pyrrol-1-yl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction: 1.757
Molar Refractivity: 108.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 838.02
ACD/KOC (pH 5.5): 4305.60
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.07
ACD/KOC (pH 7.4): 4218.53
Polar Surface Area: 93 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 263.3±5.0 cm3

Click to predict properties on the Chemicalize site


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