ChemSpider 2D Image | N-[(5-Bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-L-alanine | C11H12BrNO5S

N-[(5-Bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-L-alanine

  • Molecular FormulaC11H12BrNO5S
  • Average mass350.186 Da
  • Monoisotopic mass348.961945 Da
  • ChemSpider ID54488168

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[(5-bromo-2,3-dihydro-7-benzofuranyl)sulfonyl]- [ACD/Index Name]
N-[(5-Brom-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(5-Bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-L-alanine [ACD/IUPAC Name]
N-[(5-Bromo-2,3-dihydro-1-benzofuran-7-yl)sulfonyl]-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 549.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

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