basic_info |
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| Product_Name： | 3-(5-CHLORO-BENZOOXAZOL-2-YL)-BENZONITRILE |
| CAS： | 1042688-38-9 |
| EnglishSynonyms： | 3-(5-CHLORO-BENZOOXAZOL-2-YL)-BENZONITRILE ; BENZONITRILE, 3-(5-CHLORO-2-BENZOXAZOLYL) |
| pro_mdlNumber： | MFCD16170599 |
| pro_acceptors： | 3 |
| pro_donors： | 0 |
| pro_smile： | c1cc(cc(c1)c2nc3cc(ccc3o2)Cl)C#N |
| InChi： | InChI=1S/C14H7ClN2O/c15-11-4-5-13-12(7-11)17-14(18-13)10-3-1-2-9(6-10)8-16/h1-7H |
| InChiKey： | InChIKey=HNEKQWNGBSTIBN-UHFFFAOYSA-N |
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