basic_info |
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| Product_Name: | 1,1,1-TRIFLUORO-2-HYDROXY-5-PHENYL-2-(TRIFLUOROMETHYL)-4-PENTANONE, THIOSEMICARBAZONE |
| CAS: | 101931-71-9 |
| EnglishSynonyms: | 1,1,1-TRIFLUORO-2-HYDROXY-5-PHENYL-2-(TRIFLUOROMETHYL)-4-PENTANONE, THIOSEMICARBAZONE |
| pro_mdlNumber: | MFCD01709181 |
| pro_acceptors: | 4 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)C/C(=N\NC(=S)N)/CC(C(F)(F)F)(C(F)(F)F)O |
| InChi: | InChI=1S/C13H13F6N3OS/c14-12(15,16)11(23,13(17,18)19)7-9(21-22-10(20)24)6-8-4-2-1-3-5-8/h1-5,23H,6-7H2,(H3,20,22,24)/b21-9+ |
| InChiKey: | InChIKey=PCFADYHVEIBUEZ-ZVBGSRNCSA-N |
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