Found 20 results

Search term: MF = 'C_{20}H_{15}BrN_{6}O_{4}S'
ChemSpider 2D Image | 2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-4-[(E)-(2-methoxy-5-nitrophenyl)diazenyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one | C20H15BrN6O4S

2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-4-[(E)-(2-methoxy-5-nitrophenyl)diazenyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC20H15BrN6O4S
  • Average mass515.340 Da
  • Monoisotopic mass514.005859 Da
  • ChemSpider ID88295185

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-4-[(E)-(2-methoxy-5-nitrophenyl)diazenyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
2-[4-(4-Bromophényl)-1,3-thiazol-2-yl]-4-[(E)-(2-méthoxy-5-nitrophényl)diazényl]-5-méthyl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
2-[4-(4-Bromphenyl)-1,3-thiazol-2-yl]-4-[(E)-(2-methoxy-5-nitrophenyl)diazenyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2-[4-(4-bromophenyl)-2-thiazolyl]-1,2-dihydro-4-[(E)-2-(2-methoxy-5-nitrophenyl)diazenyl]-5-methyl- [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: 725.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.747
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5122.48
ACD/KOC (pH 5.5): 15733.58
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5122.94
ACD/KOC (pH 7.4): 15734.99
Polar Surface Area: 153 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 304.3±7.0 cm3

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