ChemSpider 2D Image | (2S)-2-Bromo-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone | C13H16BrNO2

(2S)-2-Bromo-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID98607092

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Brom-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanon [German] [ACD/IUPAC Name]
(2S)-2-Bromo-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone [ACD/IUPAC Name]
(2S)-2-Bromo-1-(6-méthyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 2-bromo-1-(2,3-dihydro-6-methyl-4H-1,4-benzoxazin-4-yl)-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.8±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.21
ACD/KOC (pH 5.5): 1110.59
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.22
ACD/KOC (pH 7.4): 1110.68
Polar Surface Area: 30 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 212.5±3.0 cm3

Click to predict properties on the Chemicalize site


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