basic_info |
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| Product_Name: | 苯甲腈,2-氯-6-巯基- |
| CAS: | 141034-42-6 |
| 中文同义词: | 苯甲腈,2-氯-6-巯基- |
| EnglishSynonyms: | DAT 582 |
| pro_mdlNumber: | MFCD00910884 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | Cc1cccc(c1)CN2CCN(C[C@H](C2)NC(=O)c3c4ccccc4[nH]n3)C.Cl.Cl |
| InChi: | InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H/t18-;;/m1../s1 |
| InChiKey: | InChIKey=BDHAPQXDDJQQBI-JPKZNVRTSA-N |
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