basic_info |
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| Product_Name: | 5-BROMO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID |
| CAS: | 536978-34-4 |
| EnglishSynonyms: | 5-BROMO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID ; BENZOIC ACID, 5-BROMO-2-[[[(3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- |
| pro_mdlNumber: | MFCD03573413 |
| pro_acceptors: | 8 |
| pro_donors: | 3 |
| pro_smile: | c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br |
| InChi: | InChI=1S/C15H10BrN3O5S/c16-9-4-5-12(11(7-9)14(21)22)17-15(25)18-13(20)8-2-1-3-10(6-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25) |
| InChiKey: | InChIKey=REEZSSPLJFSVEI-UHFFFAOYSA-N |
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