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CAS No.: | 53985-75-4 |
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Name: | 4-Hydroxy-7-trifluoromethoxyquinoline |
Molecular Structure: | |
Formula: | C10H6F3NO2 |
Molecular Weight: | 229.16 |
Synonyms: | 4-Quinolinol, 7-(trifluoromethoxy)-; |
Density: | 1.472 g/cm3 |
Boiling Point: | 301.7 °C at 760 mmHg |
Flash Point: | 136.3 °C |
PSA: | 42.35000 |
LogP: | 2.83900 |
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The 4-Hydroxy-7-trifluoromethoxyquinoline, with the CAS registry number of 53985-75-4, is also known as 4-Quinolinol, 7-(trifluoromethoxy)-. Its molecular formula is C10H6F3NO2 and molecular weight is 229.16. What's more, its systematic name is 7-(Trifluoromethoxy)quinolin-4-ol.
Physical properties about the 4-Hydroxy-7-trifluoromethoxyquinoline are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.1 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 42.35 Å2; (9)Index of Refraction: 1.572; (10)Molar Refractivity: 51.2 cm3; (11)Molar Volume: 155.5 cm3; (12)Surface Tension: 43.9 dyne/cm; (13)Density: 1.472 g/cm3; (14)Flash Point: 136.3 °C; (15)Enthalpy of Vaporization: 56.36 kJ/mol; (16)Boiling Point: 301.7 °C at 760 mmHg; (17)Vapour Pressure: 0.000578 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Oc1cc2nccc(O)c2cc1
(2) InChI: InChI=1/C10H6F3NO2/c11-10(12,13)16-6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
(3) InChIKey: AULSFKAITWRAMK-UHFFFAOYAJ