basic_info |
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| Product_Name： | 3-(1H-(1,2,3)三氮唑-4-基)-苯腈 |
| CAS： | 550364-01-7 |
| 中文同义词： | 3-(1H-(1,2,3)三氮唑-4-基)-苯腈 |
| EnglishSynonyms： | 3-(1H-(1,2,3)TRIAZOL-4-YL)-BENZONITRILE ; 3-(1H-1,2,3-TRIAZOL-4-YL)BENZONITRILE AND 3-(2H-1,2,3-TRIAZOL-4-YL)BENZONITRILE |
| pro_mdlNumber： | MFCD08275073 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | c1cc(cc(c1)c2c[nH]nn2)C#N.c1cc(cc(c1)c2cn[nH]n2)C#N |
| InChi： | InChI=1S/2C9H6N4/c2*10-5-7-2-1-3-8(4-7)9-6-11-13-12-9/h2*1-4,6H,(H,11,12,13) |
| InChiKey： | InChIKey=OSPPODKBPZDNGK-UHFFFAOYSA-N |
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