basic_info |
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Product_Name: | 3-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE |
CAS: | 1227489-72-6 |
EnglishSynonyms: | 4-CYANO-2-NITROBENZOTRIFLUORIDE ; 3-NITRO-4-(TRIFLUOROMETHYL)BENZONITRILE |
pro_mdlNumber: | MFCD16606333 |
pro_acceptors: | 4 |
pro_donors: | 0 |
pro_smile: | c1cc(c(cc1C#N)[N+](=O)[O-])C(F)(F)F |
InChi: | InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13(14)15/h1-3H |
InChiKey: | InChIKey=MKUMCYKZOUGCDR-UHFFFAOYSA-N |
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