basic_info |
|
| Product_Name: | 1-[5-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]AZEPANE |
| CAS: | 646456-34-0 |
| EnglishSynonyms: | 1-[5-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]AZEPANE |
| pro_mdlNumber: | MFCD01569664 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | c1c(c(cc(c1[N+](=O)[O-])N2CCCCCC2)Cl)C(F)(F)F |
| InChi: | InChI=1S/C13H14ClF3N2O2/c14-10-8-11(18-5-3-1-2-4-6-18)12(19(20)21)7-9(10)13(15,16)17/h7-8H,1-6H2 |
| InChiKey: | InChIKey=LJEAGBNLQNOMQL-UHFFFAOYSA-N |
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