ChemSpider 2D Image | N-[(2',4'-Difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-beta-alanine | C16H12F2INO4

N-[(2',4'-Difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-β-alanine

  • Molecular FormulaC16H12F2INO4
  • Average mass447.172 Da
  • Monoisotopic mass446.977905 Da
  • ChemSpider ID25057445

More details:

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

N-[(2',4'-Difluor-4-hydroxy-5-iod-3-biphenylyl)carbonyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(2',4'-Difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-β-alanine [ACD/IUPAC Name]
N-[(2',4'-Difluoro-4-hydroxy-5-iodo-3-biphénylyl)carbonyl]-β-alanine [French] [ACD/IUPAC Name]
N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-β-ALANINE
β-Alanine, N-[(2',4'-difluoro-4-hydroxy-5-iodo[1,1'-biphenyl]-3-yl)carbonyl]- [ACD/Index Name]
3-{[5-(2,4-difluorophenyl)-2-hydroxy-3-iodophenyl]formamido}propanoic acid
IFB

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

Density: 1.8±0.1 g/cm3
Boiling Point: 490.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.6±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 17.23
ACD/KOC (pH 5.5): 87.53
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 251.6±3.0 cm3

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