3-bromo-5-((6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)thio)benzoic acid
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Basic information
| GHS | |
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| Exact Mass | 366.99901 |
| Smiles | O=C(O)C1=CC(SC2=NN=C3N2CCCCC3)=CC(Br)=C1 |
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| Canonical Smiles | OC(=O)C1C=C(Br)C=C(C=1)SC1=NN=C2CCCCCN21 |
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| Physicochemical Propertie | |
| Inchi | InChI=1S/C14H14BrN3O2S/c15-10-6-9(13(19)20)7-11(8-10)21-14-17-16-12-4-2-1-3-5-18(12)14/h6-8H,1-5H2,(H,19,20) |
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| Useage | |
| InchiKey | SZCCWESFUOOOJW-UHFFFAOYSA-N |
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Security information
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