ChemSpider 2D Image | {[(Benzyloxy)carbonyl]amino}[3-(3,5-dichloro-4-fluorophenyl)bicyclo[1.1.1]pent-1-yl]acetic acid | C21H18Cl2FNO4

{[(Benzyloxy)carbonyl]amino}[3-(3,5-dichloro-4-fluorophenyl)bicyclo[1.1.1]pent-1-yl]acetic acid

  • Molecular FormulaC21H18Cl2FNO4
  • Average mass438.276 Da
  • Monoisotopic mass437.059692 Da
  • ChemSpider ID74786048

More details:

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

{[(Benzyloxy)carbonyl]amino}[3-(3,5-dichlor-4-fluorphenyl)bicyclo[1.1.1]pent-1-yl]essigsäure [German] [ACD/IUPAC Name]
{[(Benzyloxy)carbonyl]amino}[3-(3,5-dichloro-4-fluorophenyl)bicyclo[1.1.1]pent-1-yl]acetic acid [ACD/IUPAC Name]
Acide {[(benzyloxy)carbonyl]amino}[3-(3,5-dichloro-4-fluorophényl)bicyclo[1.1.1]pent-1-yl]acétique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, 3-(3,5-dichloro-4-fluorophenyl)-α-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
2-{[(benzyloxy)carbonyl]amino}-2-[3-(3,5-dichloro-4-fluorophenyl)bicyclo[1.1.1]pentan-1-yl]acetic acid
2287260-13-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 610.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 323.1±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 51.13
ACD/KOC (pH 5.5): 162.44
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 4.60
Polar Surface Area: 76 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

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