ChemSpider 2D Image | 3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid | C13H16BrNO2

3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid

  • Molecular FormulaC13H16BrNO2
  • Average mass298.176 Da
  • Monoisotopic mass297.036438 Da
  • ChemSpider ID23954052

More details:

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

1131622-53-1 [RN]
3-Brom-4-(3-methyl-1-piperidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-(3-methyl-1-piperidinyl)benzoic acid [ACD/IUPAC Name]
3-bromo-4-(3-methylpiperidin-1-yl)benzoic acid
Acide 3-bromo-4-(3-méthyl-1-pipéridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(3-methyl-1-piperidinyl)- [ACD/Index Name]
3-bromanyl-4-(3-methylpiperidin-1-yl)benzoic acid
3-bromo-4-(3-methylpiperidin-1-yl)benzoicacid
3-bromo-4-(3-methylpiperidyl)benzoic acid
MFCD11110907 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 429.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.4±27.3 °C
Index of Refraction: 1.584
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 103.37
ACD/KOC (pH 5.5): 619.63
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 12.30
Polar Surface Area: 41 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 210.4±3.0 cm3

Click to predict properties on the Chemicalize site


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