basic_info |
|
| 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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