ChemSpider 2D Image | MFCD00816063 | C11H14BrNO4

MFCD00816063

  • Molecular FormulaC11H14BrNO4
  • Average mass304.137 Da
  • Monoisotopic mass303.010620 Da
  • ChemSpider ID21505809

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Propanediol, 2-[[(1E)-(5-bromo-2-hydroxyphenyl)methylene]amino]-2-(hydroxymethyl)- [ACD/Index Name]
2-[(E)-(5-Brom-2-hydroxybenzyliden)amino]-2-(hydroxymethyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-[(E)-(5-Bromo-2-hydroxybenzylidene)amino]-2-(hydroxymethyl)-1,3-propanediol [ACD/IUPAC Name]
2-[(E)-(5-Bromo-2-hydroxybenzylidène)amino]-2-(hydroxyméthyl)-1,3-propanediol [French] [ACD/IUPAC Name]
MFCD00816063
2-(5-BROMOSALICYLIDENEAMINO)-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
2-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl]-2-(hydroxymethyl)propane-1,3-diol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 560.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.5±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 65.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 6.92
ACD/KOC (pH 5.5): 133.36
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.03
ACD/KOC (pH 7.4): 135.40
Polar Surface Area: 93 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 193.0±7.0 cm3

Click to predict properties on the Chemicalize site


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