Found 6 results

Search term: MF = 'C_{29}H_{30}Br_{2}N_{2}O_{3}'
ChemSpider 2D Image | 7,9-Dibromo-5-[4-(hexyloxy)phenyl]-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine | C29H30Br2N2O3

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

  • Molecular FormulaC29H30Br2N2O3
  • Average mass614.368 Da
  • Monoisotopic mass612.062317 Da
  • ChemSpider ID2529028

More details:

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

5H-Pyrazolo[1,5-c][1,3]benzoxazine, 7,9-dibromo-5-[4-(hexyloxy)phenyl]-1,10b-dihydro-2-(4-methoxyphenyl)- [ACD/Index Name]
7,9-Dibrom-5-[4-(hexyloxy)phenyl]-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin [German] [ACD/IUPAC Name]
7,9-Dibromo-5-[4-(hexyloxy)phenyl]-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine [ACD/IUPAC Name]
7,9-Dibromo-5-[4-(hexyloxy)phényl]-2-(4-méthoxyphényl)-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: 1.5±0.1 g/cm3
Boiling Point: 649.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 320120.09
ACD/KOC (pH 5.5): 300998.78
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 329766.19
ACD/KOC (pH 7.4): 310068.72
Polar Surface Area: 43 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 414.6±7.0 cm3

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