ChemSpider 2D Image | 3-[(1R)-1-Amino-2-hydroxyethyl]-4-bromo-6-methoxy-2-nitrophenol | C9H11BrN2O5

3-[(1R)-1-Amino-2-hydroxyethyl]-4-bromo-6-methoxy-2-nitrophenol

  • Molecular FormulaC9H11BrN2O5
  • Average mass307.098 Da
  • Monoisotopic mass305.985138 Da
  • ChemSpider ID27446656
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-[(1R)-1-Amino-2-hydroxyethyl]-4-brom-6-methoxy-2-nitrophenol [German] [ACD/IUPAC Name]
3-[(1R)-1-Amino-2-hydroxyethyl]-4-bromo-6-methoxy-2-nitrophenol [ACD/IUPAC Name]
3-[(1R)-1-Amino-2-hydroxyéthyl]-4-bromo-6-méthoxy-2-nitrophénol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-6-bromo-3-hydroxy-4-methoxy-2-nitro-, (βR)- [ACD/Index Name]
3-((1R)-1-AMINO-2-HYDROXYETHYL)-4-BROMO-6-METHOXY-2-NITROPHENOL
MFCD09831138

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 502.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 174.6±3.0 cm3

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