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CAS No.: | 59108-09-7 |
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Name: | 5-CHLORO-8-METHYL-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL |
Molecular Structure: | |
Formula: | C11H7ClF3NO |
Molecular Weight: | 261.60 |
Synonyms: | 5-CHLORO-8-METHYL-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL |
Density: | 1.479 g/cm3 |
Boiling Point: | 351.836 °C at 760 mmHg |
Flash Point: | 166.585 °C |
PSA: | 33.12000 |
LogP: | 3.92100 |
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This chemical is called 5-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-ol. With the molecular formula of C11H7ClF3NO, its molecular weight is 261.60. The CAS registry number of this chemical is 59108-09-7.
Other characteristics of the 5-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-ol can be summarised as followings: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.285; (4)ACD/LogD (pH 7.4): 2.254; (5)ACD/BCF (pH 5.5): 177.06; (6)ACD/BCF (pH 7.4): 16.496; (7)ACD/KOC (pH 5.5): 1345.555; (8)ACD/KOC (pH 7.4): 125.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 58.768 cm3; (15)Molar Volume: 176.939 cm3; (16)Polarizability: 23.298×10-24cm3; (17)Surface Tension: 42.205 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 166.585 °C; (20)Enthalpy of Vaporization: 62.014 kJ/mol; (21)Boiling Point: 351.836 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(c2c1nc(cc2O)C(F)(F)F)Cl
2.InChI: InChI=1/C11H7ClF3NO/c1-5-2-3-6(12)9-7(17)4-8(11(13,14)15)16-10(5)9/h2-4H,1H3,(H,16,17)
3.InChIKey: DUBOQUSBINLJOK-UHFFFAOYAL