ChemSpider 2D Image | (2R)-1-(4-Bromo-2-nitro-1H-imidazol-1-yl)-3-methoxy-2-propanol | C7H10BrN3O4

(2R)-1-(4-Bromo-2-nitro-1H-imidazol-1-yl)-3-methoxy-2-propanol

  • Molecular FormulaC7H10BrN3O4
  • Average mass280.076 Da
  • Monoisotopic mass278.985474 Da
  • ChemSpider ID23160305
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-(4-Brom-2-nitro-1H-imidazol-1-yl)-3-methoxy-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-(4-Bromo-2-nitro-1H-imidazol-1-yl)-3-methoxy-2-propanol [ACD/IUPAC Name]
(2R)-1-(4-Bromo-2-nitro-1H-imidazol-1-yl)-3-méthoxy-2-propanol [French] [ACD/IUPAC Name]
(2R)-1-(4-bromo-2-nitro-1H-imidazol-1-yl)-3-methoxypropan-2-ol
1H-Imidazole-1-ethanol, 4-bromo-α-(methoxymethyl)-2-nitro-, (αR)- [ACD/Index Name]
1-(4-Bromo-2-nitro-imidazol-1-yl)-3-methoxy-propan-2-ol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 487.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 248.8±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.26
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.26
Polar Surface Area: 93 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 153.2±7.0 cm3

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