Found 1 result

Search term: OC(=O)C[C@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (3S)-4-(5-Chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid | C17H14Cl2N2O2

(3S)-4-(5-Chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid

  • Molecular FormulaC17H14Cl2N2O2
  • Average mass349.211 Da
  • Monoisotopic mass348.043243 Da
  • ChemSpider ID59053631

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-(5-Chlor-1H-benzimidazol-2-yl)-3-(4-chlorphenyl)butansäure [German] [ACD/IUPAC Name]
(3S)-4-(5-Chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid [ACD/IUPAC Name]
(3S)-4-(6-Chlor-1H-benzimidazol-2-yl)-3-(4-chlorphenyl)butansäure [German] [ACD/IUPAC Name]
(3S)-4-(6-Chloro-1H-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid [ACD/IUPAC Name]
1H-Benzimidazole-2-butanoic acid, 5-chloro-β-(4-chlorophenyl)-, (βS)- [ACD/Index Name]
1H-Benzimidazole-2-butanoic acid, 6-chloro-β-(4-chlorophenyl)-, (βS)- [ACD/Index Name]
Acide (3S)-4-(5-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophényl)butanoïque [French] [ACD/IUPAC Name]
Acide (3S)-4-(6-chloro-1H-benzimidazol-2-yl)-3-(4-chlorophényl)butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 120.68
ACD/KOC (pH 5.5): 486.24
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 10.39
Polar Surface Area: 66 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 240.9±3.0 cm3

Click to predict properties on the Chemicalize site


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