basic_info |
|
| Product_Name： | WR 226253 |
| CAS： | 76487-48-4 |
| EnglishSynonyms： | WR 226253 |
| pro_mdlNumber： | MFCD01749975 |
| pro_acceptors： | 3 |
| pro_donors： | 2 |
| pro_smile： | CS(=O)(=O)O.c1c(cc(c2c1c(cc(n2)C(F)(F)F)C(C3CCCCN3)O)Cl)Cl.O |
| InChi： | InChI=1S/C16H15Cl2F3N2O.CH4O3S.H2O/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8;1-5(2,3)4;/h5-7,12,15,22,24H,1-4H2;1H3,(H,2,3,4);1H2 |
| InChiKey： | InChIKey=SMMXTKZNAJFGBF-UHFFFAOYSA-N |
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