ChemSpider 2D Image | 2-(4-Isobutyl-3-nitrophenyl)propanoic acid | C13H17NO4

2-(4-Isobutyl-3-nitrophenyl)propanoic acid

  • Molecular FormulaC13H17NO4
  • Average mass251.278 Da
  • Monoisotopic mass251.115753 Da
  • ChemSpider ID14649763

More details:

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

2-(4-Isobutyl-3-nitrophenyl)propanoic acid [ACD/IUPAC Name]
2-(4-Isobutyl-3-nitrophenyl)propansäure [German] [ACD/IUPAC Name]
2-[4-(2-methylpropyl)-3-nitrophenyl]propanoic acid
Acide 2-(4-isobutyl-3-nitrophényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-3-nitro- [ACD/Index Name]
2-(4-Isobutyl-3-nitro-phenyl)-propionic acid
69332-47-4 [RN]
CHEMBL350424
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL350424/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 373.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 153.6±13.0 °C
Index of Refraction: 1.547
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 59.04
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 83 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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