ChemSpider 2D Image | 2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-({[(1-methyl-1H-pyrrol-2-yl)methyl]amino}methyl)benzoic acid | C28H25F3N4O4

2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-({[(1-methyl-1H-pyrrol-2-yl)methyl]amino}methyl)benzoic acid

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID8636163

More details:

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

2-({2-[(2-Carboxyphenyl)amino]-5-(trifluormethyl)phenyl}amino)-5-({[(1-methyl-1H-pyrrol-2-yl)methyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-({[(1-methyl-1H-pyrrol-2-yl)methyl]amino}methyl)benzoic acid [ACD/IUPAC Name]
Acide 2-({2-[(2-carboxyphényl)amino]-5-(trifluorométhyl)phényl}amino)-5-({[(1-méthyl-1H-pyrrol-2-yl)méthyl]amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-5-[[[(1-methyl-1H-pyrrol-2-yl)methyl]amino]methyl]- [ACD/Index Name]
2-({2-[(2-CARBOXYPHENYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}AMINO)-5-({[(1-METHYLPYRROL-2-YL)METHYL]AMINO}METHYL)BENZOIC ACID
788155-89-5 [RN]
BENZOIC ACID,2-[[2-[(2-CARBOXYPHENYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL]AMINO]-5-[[[(1-METHYL-1H-PYRROL-2-YL)METHYL]AMINO]METHYL]-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 158.87
ACD/KOC (pH 5.5): 144.49
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 117.22
ACD/KOC (pH 7.4): 106.61
Polar Surface Area: 116 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 395.8±7.0 cm3

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