Found 38 results

Search term: MF = 'C_{21}H_{16}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | 7,9-Dibromo-2-(4-methoxyphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine | C21H16Br2N2O2S

7,9-Dibromo-2-(4-methoxyphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

  • Molecular FormulaC21H16Br2N2O2S
  • Average mass520.237 Da
  • Monoisotopic mass517.929932 Da
  • ChemSpider ID2529166

More details:

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

5H-Pyrazolo[1,5-c][1,3]benzoxazine, 7,9-dibromo-1,10b-dihydro-2-(4-methoxyphenyl)-5-(2-thienyl)- [ACD/Index Name]
7,9-Dibrom-2-(4-methoxyphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin [German] [ACD/IUPAC Name]
7,9-Dibromo-2-(4-methoxyphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [ACD/IUPAC Name]
7,9-Dibromo-2-(4-méthoxyphényl)-5-(2-thiényl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 585.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.1±32.9 °C
Index of Refraction: 1.741
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5475.37
ACD/KOC (pH 5.5): 16431.46
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5557.98
ACD/KOC (pH 7.4): 16679.38
Polar Surface Area: 62 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 295.2±7.0 cm3

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