Basic Information |
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| Product Name: | (E)-8-(3-BROMO-4-METHOXYSTYRYL)THEOPHYLLINE |
| CAS: | 155271-50-4 |
| English Synonyms: | (E)-8-(3-BROMO-4-METHOXYSTYRYL)THEOPHYLLINE |
| MDL Number.: | MFCD01757739 |
| H bond acceptor: | 7 |
| H bond donor: | 1 |
| Smile: | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)/C=C/c3ccc(c(c3)Br)OC |
| InChi: | InChI=1S/C16H15BrN4O3/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)7-5-9-4-6-11(24-3)10(17)8-9/h4-8H,1-3H3,(H,18,19)/b7-5+ |
| InChiKey: | InChIKey=HOKQBIATLCKFPM-FNORWQNLSA-N |
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