ChemSpider 2D Image | 2,2',2'',2'''-{1,2-Ethanediylbis[oxy(5-fluoro-2,1-phenylene)nitrilo]}tetraacetic acid | C22H22F2N2O10

2,2',2'',2'''-{1,2-Ethanediylbis[oxy(5-fluoro-2,1-phenylene)nitrilo]}tetraacetic acid

  • Molecular FormulaC22H22F2N2O10
  • Average mass512.414 Da
  • Monoisotopic mass512.124268 Da
  • ChemSpider ID110235

More details:

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

2,2',2'',2'''-{1,2-Ethandiylbis[oxy(5-fluor-2,1-phenylen)nitrilo]}tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-{1,2-Ethanediylbis[oxy(5-fluoro-2,1-phenylene)nitrilo]}tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-{1,2-éthanediylbis[oxy(5-fluoro-2,1-phénylène)nitrilo]}tetraacétique [French] [ACD/IUPAC Name]
1,2-Bis(2-amino-5-fluorophenoxyl)ethane-N,N,N',N'-tetraacetic acid
2,2',2'',2'''-{ETHANE-1,2-DIYLBIS[OXY(5-FLUOROBENZENE-2,1-DIYL)NITRILO]}TETRAACETIC ACID
4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
4,4'-Fbapta
5,5'-difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
5,5'-F2-Bapta
5,5'-Fbapta
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 804.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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