ChemSpider 2D Image | Methyl 3-bromo-4-(3-piperidinyl)benzoate | C13H16BrNO2

Methyl 3-bromo-4-(3-piperidinyl)benzoate

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID23954053

More details:

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

1131622-54-2 [RN]
3-Bromo-4-(3-pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(3-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-(3-piperidinyl)benzoate [ACD/IUPAC Name]
Methyl-3-brom-4-(3-piperidinyl)benzoat [German] [ACD/IUPAC Name]
3-bromo-4-(3-piperidinyl)benzoic acid methyl ester
methyl 3-bromanyl-4-piperidin-3-yl-benzoate
methyl 3-bromo-4-(3-piperidyl)benzoate
methyl 3-bromo-4-(piperidin-3-yl)benzoate
methyl3-bromo-4-(piperidin-3-yl)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 371.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.3±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.77
Polar Surface Area: 38 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 220.7±3.0 cm3

Click to predict properties on the Chemicalize site


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