ChemSpider 2D Image | 3-Iodo-4-(3-methyl-1-piperidinyl)benzoic acid | C13H16INO2

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

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960144

More details:






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

3-Iod-4-(3-methyl-1-piperidinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Iodo-4-(3-methyl-1-piperidinyl)benzoic acid [ACD/IUPAC Name]
Acide 3-iodo-4-(3-méthyl-1-pipéridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(3-methyl-1-piperidinyl)- [ACD/Index Name]
1131614-60-2 [RN]
3-iodanyl-4-(3-methylpiperidin-1-yl)benzoic acid
3-iodo-4-(3-methylpiperidin-1-yl)benzoic acid
3-iodo-4-(3-methylpiperidin-1-yl)benzoicacid
3-iodo-4-(3-methylpiperidyl)benzoic acid
MFCD11110809 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 446.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.6±27.3 °C
Index of Refraction: 1.616
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 148.98
ACD/KOC (pH 5.5): 818.40
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 16.55
Polar Surface Area: 41 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

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