ChemSpider 2D Image | (4-{[2-(3-Chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl}phenyl)acetic acid | C21H15ClF3NO2

(4-{[2-(3-Chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl}phenyl)acetic acid

  • Molecular FormulaC21H15ClF3NO2
  • Average mass405.797 Da
  • Monoisotopic mass405.074341 Da
  • ChemSpider ID75533972

More details:

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

(4-{[2-(3-Chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl}phenyl)acetic acid [ACD/IUPAC Name]
(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
(4-{[2-(3-Chlorphenyl)-6-(trifluormethyl)-4-pyridinyl]methyl}phenyl)essigsäure [German] [ACD/IUPAC Name]
1606974-33-7 [RN]
2-(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
Acide (4-{[2-(3-chlorophényl)-6-(trifluorométhyl)-4-pyridinyl]méthyl}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]methyl]- [ACD/Index Name]
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic acid
BPN14770
Zatolmilast

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 264.9±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 477.35
ACD/KOC (pH 5.5): 1266.77
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 7.86
ACD/KOC (pH 7.4): 20.86
Polar Surface Area: 50 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 300.2±3.0 cm3

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