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1000515-78-5

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Basic Information
CAS No.: 1000515-78-5
Name: (4-Trifluoromethyl-pyridin-2-yl)-acetic acid
Molecular Structure:
Molecular Structure of 1000515-78-5 ((4-Trifluoromethyl-pyridin-2-yl)-acetic acid)
Formula: C8H6F3NO2
Molecular Weight: 205.1339
Synonyms: 2-[4-(trifluoromethyl)-2-pyridyl]acetic acid;[4-(Trifluoromethyl)pyridin-2-yl]acetic acid;
Density: 1.428 g/cm3
Boiling Point: 276.7 °C at 760 mmHg
Flash Point: 121.1 °C
PSA: 50.19000
LogP: 1.72750
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Specification

The 2-Pyridineacetic acid, 4-(trifluoromethyl)-, with the CAS registry number 1000515-78-5, has the systematic name of 2-[4-(trifluoromethyl)-2-pyridyl]acetic acid. And the molecular formula of this chemical is C8H6F3NO2. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Pyridineacetic acid, 4-(trifluoromethyl)- are as following: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 50.19 Å2; (6)Index of Refraction: 1.475; (7)Molar Refractivity: 40.43 cm3; (8)Molar Volume: 143.6 cm3; (9)Polarizability: 16.03×10-24cm3; (10)Surface Tension: 38.1 dyne/cm; (11)Density: 1.428 g/cm3; (12)Flash Point: 121.1 °C; (13)Enthalpy of Vaporization: 54.42 kJ/mol; (14)Boiling Point: 276.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00228 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1C(F)(F)F)CC(=O)O
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)5-1-2-12-6(3-5)4-7(13)14/h1-3H,4H2,(H,13,14)
(3)InChIKey: BVLVCJRDGKYAOK-UHFFFAOYAM