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CAS No.: | 38644-10-9 |
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Name: | [2-chloro-6-(trifluoromethyl)phenanthren-9-yl](piperidin-2-yl)methanol |
Molecular Structure: | |
Formula: | C21H19ClF3NO |
Molecular Weight: | 393.8299 |
Density: | 1.345 g/cm3 |
Boiling Point: | 418.9 °C at 760 mmHg |
Flash Point: | 207.1 °C |
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The [2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-(2-piperidyl)methanol, with CAS registry number 38644-10-9, has the systematic name of [2-chloro-6-(trifluoromethyl)phenanthren-9-yl](piperidin-2-yl)methanol. And the chemical formula of this chemical is C21H19ClF3NO. Its molecular weight is 393.8299.
Physical properties of [2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-(2-piperidyl)methanol: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 102.67 cm3; (9)Molar Volume: 292.7 cm3; (10)Polarizability: 40.7×10-24cm3; (11)Surface Tension: 45.4 dyne/cm; (12)Density: 1.345 g/cm3; (13)Flash Point: 207.1 °C; (14)Enthalpy of Vaporization: 70.9 kJ/mol; (15)Boiling Point: 418.9 °C at 760 mmHg; (16)Vapour Pressure: 9.15E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc1c(cc3c(c1c2)ccc(Cl)c3)C(O)C4NCCCC4
(2)InChI: InChI=1/C21H19ClF3NO/c22-14-5-7-15-12(9-14)10-18(20(27)19-3-1-2-8-26-19)16-6-4-13(11-17(15)16)21(23,24)25/h4-7,9-11,19-20,26-27H,1-3,8H2
(3)InChIKey: DAGCDWKOQHGGEX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C21H19ClF3NO/c22-14-5-7-15-12(9-14)10-18(20(27)19-3-1-2-8-26-19)16-6-4-13(11-17(15)16)21(23,24)25/h4-7,9-11,19-20,26-27H,1-3,8H2
(5)Std. InChIKey: DAGCDWKOQHGGEX-UHFFFAOYSA-N