Molecular Structure of 2-(Pentafluoroethyl)benzimidazole (CAS No.383-08-4):
Molecular Formula: C9H5F5N2
Molecular Weight: 236.14
CAS No: 383-08-4
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 28.68 Å2
Index of Refraction: 1.508
Molar Refractivity: 46.52 cm3
Molar Volume: 156 cm3
Surface Tension: 33.6 dyne/cm
Density: 1.513 g/cm3
Flash Point: 116.3 °C
Enthalpy of Vaporization: 48.63 kJ/mol
Boiling Point: 268.6 °C at 760 mmHg
Vapour Pressure: 0.0126 mmHg at 25°C
Systematic Name: 2-(1,1,2,2,2-Pentafluoroethyl)-1H-benzimidazole
SMILES: c1ccc2c(c1)[nH]c(n2)C(C(F)(F)F)(F)F
InChI: InChI=1/C9H5F5N2/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16-7/h1-4H,(H,15,16)
InChIKey: MRDUDGYTAUTZQP-UHFFFAOYAE
Std. InChI: InChI=1S/C9H5F5N2/c10-8(11,9(12,13)14)7-15-5-3-1-2-4-6(5)16-7/h1-4H,(H,15,16)
Std. InChIKey: MRDUDGYTAUTZQP-UHFFFAOYSA-N
2-(Pentafluoroethyl)benzimidazole (CAS No.383-08-4), it also can be called 2-(Perfluoroethyl)-1H-benzo[d]imidazole ; 1H-Benzimidazole, 2-(1,1,2,2,2-pentafluoroethyl)- .
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