basic_info |
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Product_Name: | 2-([(3-ACETYL-5-CHLORO-2-HYDROXYPHENYL)METHYL](CYANOMETHYL)AMINO)ACETONITRILE |
EnglishSynonyms: | 2-([(3-ACETYL-5-CHLORO-2-HYDROXYPHENYL)METHYL](CYANOMETHYL)AMINO)ACETONITRILE |
pro_mdlNumber: | MFCD15516064 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | CC(=O)c1cc(cc(c1O)CN(CC#N)CC#N)Cl |
InChi: | InChI=1S/C13H12ClN3O2/c1-9(18)12-7-11(14)6-10(13(12)19)8-17(4-2-15)5-3-16/h6-7,19H,4-5,8H2,1H3 |
InChiKey: | InChIKey=CRZFLUXPYKSRHJ-UHFFFAOYSA-N |
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