ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-2-(4,5-difluoro-2-iodophenyl)alanine | C17H14F2INO4

N-[(Benzyloxy)carbonyl]-2-(4,5-difluoro-2-iodophenyl)alanine

  • Molecular FormulaC17H14F2INO4
  • Average mass461.199 Da
  • Monoisotopic mass460.993561 Da
  • ChemSpider ID98031109

More details:

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

Benzeneacetic acid, 4,5-difluoro-2-iodo-α-methyl-α-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-2-(4,5-difluor-2-iodphenyl)alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-2-(4,5-difluoro-2-iodophenyl)alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-2-(4,5-difluoro-2-iodophényl)alanine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 544.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 283.0±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 14.09
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 270.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement