ChemSpider 2D Image | Methyl 5-bromo-2-{[(2R)-2,3-dihydroxypropyl]amino}-3-nitrobenzoate | C11H13BrN2O6

Methyl 5-bromo-2-{[(2R)-2,3-dihydroxypropyl]amino}-3-nitrobenzoate

  • Molecular FormulaC11H13BrN2O6
  • Average mass349.135 Da
  • Monoisotopic mass347.995697 Da
  • ChemSpider ID71035996

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Bromo-2-{[(2R)-2,3-dihydroxypropyl]amino}-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-[[(2R)-2,3-dihydroxypropyl]amino]-3-nitro-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-{[(2R)-2,3-dihydroxypropyl]amino}-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-5-brom-2-{[(2R)-2,3-dihydroxypropyl]amino}-3-nitrobenzoat [German] [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: 547.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.9±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.03
ACD/KOC (pH 5.5): 368.58
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.03
ACD/KOC (pH 7.4): 368.58
Polar Surface Area: 125 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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