ChemSpider 2D Image | 4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID | C32H31NO6

4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID

  • Molecular FormulaC32H31NO6
  • Average mass525.592 Da
  • Monoisotopic mass525.215149 Da
  • ChemSpider ID4810328

More details:






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

4'-[(6-{4-[(2-Carboxyphenyl)amino]phenoxy}hexyl)oxy]-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-[(6-{4-[(2-Carboxyphenyl)amino]phenoxy}hexyl)oxy]-4-biphenylcarboxylic acid [ACD/IUPAC Name]
4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID
Acide 4'-[(6-{4-[(2-carboxyphényl)amino]phénoxy}hexyl)oxy]-4-biphénylcarboxylique [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[[6-[(4'-carboxy[1,1'-biphenyl]-4-yl)oxy]hexyl]oxy]phenyl]amino]- [ACD/Index Name]
6CA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 801.41
ACD/KOC (pH 5.5): 688.84
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 32.48
ACD/KOC (pH 7.4): 27.92
Polar Surface Area: 105 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

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