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870450-93-4

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Basic Information
CAS No.: 870450-93-4
Name: 1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE
Article Data: 9
Molecular Structure:
Molecular Structure of 870450-93-4 (1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE)
Formula: C14H9F3N2
Molecular Weight: 262.234
Synonyms: 1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE
Density: 1.298g/cm3
Boiling Point: 359.585 °C at 760 mmHg
Flash Point: 171.271 °C
PSA: 17.82000
LogP: 4.04430
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Specification

The 1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]-, with CAS registry number 870450-93-4, belongs to the following product category: Pharmacetical. It has the systematic name of 1-[4-(trifluoromethyl)phenyl]-1H-benzimidazole. And the chemical formula of this chemical is C14H9F3N2.

Physical properties of 1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 66.572 cm3; (9)Molar Volume: 202.05 cm3; (10)Polarizability: 26.391×10-24cm3; (11)Surface Tension: 37.438 dyne/cm; (12)Density: 1.298 g/cm3; (13)Flash Point: 171.271 °C; (14)Enthalpy of Vaporization: 60.52 kJ/mol; (15)Boiling Point: 359.585 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)n2c3ccccc3nc2
(2)InChI: InChI=1/C14H9F3N2/c15-14(16,17)10-5-7-11(8-6-10)19-9-18-12-3-1-2-4-13(12)19/h1-9H
(3)InChIKey: KSXNZGIGSBSYLU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H9F3N2/c15-14(16,17)10-5-7-11(8-6-10)19-9-18-12-3-1-2-4-13(12)19/h1-9H
(5)Std. InChIKey: KSXNZGIGSBSYLU-UHFFFAOYSA-N