basic_info |
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| Product_Name: | 5-BR-PSAA |
| CAS: | 87035-60-7 |
| EnglishSynonyms: | 5-BR-PSAA ; 2-(5-BROMO-2-PYRIDYLAZO)-5-(N-PROPYL-3-SULFOPROPYLAMINO)ANILINE SODIUM SALT ; 5-BR-PSAA SODIUM SALT |
| pro_mdlNumber: | MFCD00043044 |
| pro_acceptors: | 8 |
| pro_donors: | 1 |
| pro_smile: | CCCN(CCCS(=O)(=O)[O-])c1ccc(c(c1)N)/N=N/c2ccc(cn2)Br.[Na+] |
| InChi: | InChI=1S/C17H22BrN5O3S.Na/c1-2-8-23(9-3-10-27(24,25)26)14-5-6-16(15(19)11-14)21-22-17-7-4-13(18)12-20-17;/h4-7,11-12H,2-3,8-10,19H2,1H3,(H,24,25,26);/q;+1/p-1/b22-21+; |
| InChiKey: | InChIKey=NUKFCHOWHASRGY-QUABFQRHSA-M |
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