ChemSpider 2D Image | Metrafenone-d9 | C19H12D9BrO5

Metrafenone-d9

  • Molecular FormulaC19H12D9BrO5
  • Average mass418.327 Da
  • Monoisotopic mass417.113708 Da
  • ChemSpider ID49070964

  • Non-standard isotope - Non-standard isotope

More details:

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

(3-Brom-6-methoxy-2-methylphenyl){6-methyl-2,3,4-tris[(2H3)methyloxy]phenyl}methanon [German] [ACD/IUPAC Name]
(3-Bromo-6-methoxy-2-methylphenyl){6-methyl-2,3,4-tris[(2H3)methyloxy]phenyl}methanone [ACD/IUPAC Name]
(3-Bromo-6-méthoxy-2-méthylphényl){6-méthyl-2,3,4-tris[(2H3)méthyloxy]phényl}méthanone [French] [ACD/IUPAC Name]
3'-Bromo-2,3,4-trimethoxy-d9-6'-methoxy-2',6-dimethylbenzophenone
Methanone, (3-bromo-6-methoxy-2-methylphenyl)[6-methyl-2,3,4-tris(methyl-d3-oxy)phenyl]- [ACD/Index Name]
Metrafenone-(2,3,4-trimethoxy-d9)
Metrafenone-d9
2140327-64-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 697.34
ACD/KOC (pH 5.5): 3775.18
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.34
ACD/KOC (pH 7.4): 3775.18
Polar Surface Area: 54 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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