ChemSpider 2D Image | 1,3,6-Tribromo-2-naphthyl (2S)-2-bromo-3-methylbutanoate | C15H12Br4O2

1,3,6-Tribromo-2-naphthyl (2S)-2-bromo-3-methylbutanoate

  • Molecular FormulaC15H12Br4O2
  • Average mass543.871 Da
  • Monoisotopic mass539.757080 Da
  • ChemSpider ID17273876

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Bromo-3-méthylbutanoate de 1,3,6-tribromo-2-naphtyle [French] [ACD/IUPAC Name]
1,3,6-Tribrom-2-naphthyl-(2S)-2-brom-3-methylbutanoat [German] [ACD/IUPAC Name]
1,3,6-Tribromo-2-naphthyl (2S)-2-bromo-3-methylbutanoate [ACD/IUPAC Name]
Butanoic acid, 2-bromo-3-methyl-, 1,3,6-tribromo-2-naphthalenyl ester, (2S)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44907.95
ACD/KOC (pH 5.5): 74424.44
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44907.95
ACD/KOC (pH 7.4): 74424.44
Polar Surface Area: 26 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site


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