basic_info |
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| Product_Name: | 1-BENZOTHIEPIN-4-CARBOXYLIC ACID, 7-BROMO-2,3-DIHYDRO- |
| CAS: | 229006-90-0 |
| EnglishSynonyms: | 7-BROMO-2,3-DIHYDRO-1-BENZOTHIEPIN-4-CARBOXYLIC ACID ; 1-BENZOTHIEPIN-4-CARBOXYLIC ACID, 7-BROMO-2,3-DIHYDRO- |
| pro_mdlNumber: | MFCD22047803 |
| pro_acceptors: | 2 |
| pro_donors: | 1 |
| pro_smile: | c1cc2c(cc1Br)C=C(CCS2)C(=O)O |
| InChi: | InChI=1S/C11H9BrO2S/c12-9-1-2-10-8(6-9)5-7(11(13)14)3-4-15-10/h1-2,5-6H,3-4H2,(H,13,14) |
| InChiKey: | InChIKey=KMYJVQHBXBUKKW-UHFFFAOYSA-N |
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