basic_info |
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Product_Name: | 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE |
CAS: | 546142-08-9 |
EnglishSynonyms: | 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE |
pro_mdlNumber: | MFCD18383288 |
pro_acceptors: | 5 |
pro_donors: | 0 |
pro_smile: | B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)c3cccc(c3)C#N |
InChi: | InChI=1S/C16H18BN3O2/c1-15(2)16(3,4)22-17(21-15)13-10-19-20(11-13)14-7-5-6-12(8-14)9-18/h5-8,10-11H,1-4H3 |
InChiKey: | InChIKey=APMKAYJGHHCBBR-UHFFFAOYSA-N |
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