ChemSpider 2D Image | Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-beta-alaninate | C17H14F2INO4

Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-β-alaninate

  • Molecular FormulaC17H14F2INO4
  • Average mass461.199 Da
  • Monoisotopic mass460.993561 Da
  • ChemSpider ID25057967

More details:

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

Methyl N-[(2',4'-difluoro-4-hydroxy-5-iodo-3-biphenylyl)carbonyl]-β-alaninate [ACD/IUPAC Name]
METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-β-ALANINATE
Methyl-N-[(2',4'-difluor-4-hydroxy-5-iod-3-biphenylyl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(2',4'-Difluoro-4-hydroxy-5-iodo-3-biphénylyl)carbonyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(2',4'-difluoro-4-hydroxy-5-iodo[1,1'-biphenyl]-3-yl)carbonyl]-, methyl ester [ACD/Index Name]
IFA
methyl 3-{[5-(2,4-difluorophenyl)-2-hydroxy-3-iodophenyl]formamido}propanoate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 457.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1405.19
ACD/KOC (pH 5.5): 5742.47
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 62.03
ACD/KOC (pH 7.4): 253.48
Polar Surface Area: 76 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 277.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement