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220000-88-4

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Basic Information
CAS No.: 220000-88-4
Name: 4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE
Article Data: 13
Molecular Structure:
Molecular Structure of 220000-88-4 (4-(4-TRIFLUOROMETHYLPHENYL)PYRIDINE)
Formula: C12H8F3N
Molecular Weight: 223.197
Synonyms: 4-(4-Trifluoromethylphenyl)pyridine;
Density: 1.23 g/cm3
Boiling Point: 263.3 °C at 760 mmHg
Flash Point: 113 °C
PSA: 12.89000
LogP: 3.76740
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Specification

The Pyridine, 4-[4-(trifluoromethyl)phenyl]- has CAS registry number 220000-88-4. This chemical's molecular formula is C12H8F3N and molecular weight is 223.19. What's more, its systematic name is 4-[4-(Trifluoromethyl)phenyl]pyridine.

Physical properties about Pyridine, 4-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 240.28; (6)ACD/BCF (pH 7.4): 297.89; (7)ACD/KOC (pH 5.5): 1655.08; (8)ACD/KOC (pH 7.4): 2051.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 53.91 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 21.37×10-24 cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 113 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 263.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0169 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(c1ccncc1)cc2
(2) InChI: InChI=1/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
(3) InChIKey: XKLRYMRLOBCRPN-UHFFFAOYAY