ChemSpider 2D Image | 4-[2-Chloro-6-(isopropylsulfanyl)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | C28H28ClNO4S

4-[2-Chloro-6-(isopropylsulfanyl)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

  • Molecular FormulaC28H28ClNO4S
  • Average mass510.044 Da
  • Monoisotopic mass509.142761 Da
  • ChemSpider ID98432609

More details:

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

4-[2-Chlor-6-(isopropylsulfanyl)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
4-[2-Chloro-6-(isopropylsulfanyl)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4-[2-chloro-6-(isopropylsulfanyl)phényl]-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-chloro-α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-[(1-methylethyl)thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 840.91
ACD/KOC (pH 5.5): 1070.50
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 30.61
ACD/KOC (pH 7.4): 38.97
Polar Surface Area: 101 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

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