Found 2 results

Search term: PJGCNFZMINFKTF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (1R)-1-(4-bromophenyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate | C17H13BrO3

Methyl (1R)-1-(4-bromophenyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

  • Molecular FormulaC17H13BrO3
  • Average mass345.187 Da
  • Monoisotopic mass344.004791 Da
  • ChemSpider ID30651030

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1R)-1-(4-Bromophényl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofurane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Cyclopropa[b]benzofuran-1-carboxylic acid, 1-(4-bromophenyl)-1a,6b-dihydro-, methyl ester, (1R)- [ACD/Index Name]
Methyl (1R)-1-(4-bromophenyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R)-1-(4-bromphenyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylat [German] [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: 394.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 192.4±27.9 °C
Index of Refraction: 1.641
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1201.01
ACD/KOC (pH 5.5): 5571.08
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1201.01
ACD/KOC (pH 7.4): 5571.08
Polar Surface Area: 36 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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