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1211584-76-7

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Basic Information
CAS No.: 1211584-76-7
Name: 2-methoxy-3-(trifluoromethyl)pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 1211584-76-7 (2-methoxy-3-(trifluoromethyl)pyridine)
Formula: C7H6F3NO
Molecular Weight: 177.1238
Synonyms: 2-Methoxy-3-(trifluoromethyl)pyridine;
Density: 1.263 g/cm3
Boiling Point: 172.9 °C at 760 mmHg
Flash Point: 58.4 °C
PSA: 48.14000
LogP: 2.27240
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Specification

The Pyridine, 2-methoxy-3-(trifluoromethyl)-, with the CAS registry number of 1211584-76-7, is also known as 2-Methoxy-3-(trifluoromethyl)pyridine. Its molecular formula is C7H6F3NO and molecular weight is 177.1238.

Physical properties about the Pyridine, 2-methoxy-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.5; (6)ACD/BCF (pH 7.4): 36.5; (7)ACD/KOC (pH 5.5): 456.99; (8)ACD/KOC (pH 7.4): 457; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 36 cm3; (15)Molar Volume: 140.1 cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 58.4 °C; (19)Enthalpy of Vaporization: 39.25 kJ/mol; (20)Boiling Point: 172.9 °C at 760 mmHg; (21)Vapour Pressure: 1.73 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccnc1OC
(2) InChI: InChI=1/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3
(3) InChIKey: SSAZZVQVJJXPMB-UHFFFAOYAU