basic_info |
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| Product_Name: | BENZOIC ACID, 3-BROMO-4-BUTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER |
| CAS: | 1007568-98-0 |
| EnglishSynonyms: | BENZOIC ACID, 3-BROMO-4-BUTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER ; 3-BROMO-4-BUTYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER |
| pro_mdlNumber: | MFCD22494403 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2CCCC)Br)C(=O)OC |
| InChi: | InChI=1S/C18H26BBrO4/c1-7-8-9-13-14(10-12(11-15(13)20)16(21)22-6)19-23-17(2,3)18(4,5)24-19/h10-11H,7-9H2,1-6H3 |
| InChiKey: | InChIKey=GEKCXHCJFYVDCX-UHFFFAOYSA-N |
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