basic_info |
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Product_Name: | 2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE |
CAS: | 731003-81-9 |
EnglishSynonyms: | 2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYLPYRROL-3-YL]ETHANONE ; 2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHAN-1-ONE ; 2-CHLORO-1-[1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE |
pro_mdlNumber: | MFCD04625518 |
pro_acceptors: | 4 |
pro_donors: | 0 |
pro_smile: | Cc1cc(c(n1c2ccc3c(c2)OCCO3)C)C(=O)CCl |
InChi: | InChI=1S/C16H16ClNO3/c1-10-7-13(14(19)9-17)11(2)18(10)12-3-4-15-16(8-12)21-6-5-20-15/h3-4,7-8H,5-6,9H2,1-2H3 |
InChiKey: | InChIKey=MEJKHNWAWMQUFC-UHFFFAOYSA-N |
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