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CAS No.: | 58457-64-0 |
---|---|
Name: | 2-HYDROXY-3-(TRIFLUOROMETHYL)QUINOXALIN |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C9H5F3N2O |
Molecular Weight: | 214.147 |
Synonyms: | 3-(Trifluoromethyl)-2-quinoxalinol;3-(Trifluoromethyl)quinoxalin-2(1H)-one; |
Density: | 1.51 g/cm3 |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 46.01000 |
LogP: | 2.35420 |
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This chemical is called 2(1H)-Quinoxalinone,3-(trifluoromethyl)-, and its systematic name is 3-(trifluoromethyl)quinoxalin-2(1H)-one. With the molecular formula of C9H5F3N2O, its molecular weight is 214.14. The CAS registry number of this chemical is 58457-64-0.
Other characteristics of the 2(1H)-Quinoxalinone,3-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 29.32; (6)ACD/BCF (pH 7.4): 20.46; (7)ACD/KOC (pH 5.5): 390.06; (8)ACD/KOC (pH 7.4): 272.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 46.02 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.51 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)C\2=N\c1ccccc1NC/2=O
2.InChI: InChI=1/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
3.InChIKey: NOGLKXWLUDJZDQ-UHFFFAOYAX