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Halo-DBCO
| Catalog | CCR1808119165 |
| CAS | 1808119-16-5 |
| IUPAC Name | 4-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-4-oxobutanamide |
| Molecular Weight | 511.0 |
| Molecular Formula | C29H35ClN2O4 |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCCCCCCl |
| InChI | InChI=1S/C29H35ClN2O4/c30-17-7-1-2-8-19-35-21-22-36-20-18-31-28(33)15-16-29(34)32-23-26-11-4-3-9-24(26)13-14-25-10-5-6-12-27(25)32/h3-6,9-12H,1-2,7-8,15-23H2,(H,31,33) |
| InChI Key | IPBMADSLMZUFQN-UHFFFAOYSA-N |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 733 |
| Exact Mass | 510.2285353 |
| Monoisotopic Mass | 510.2285353 |
| Topological Polar Surface Area | 67.9Ų |
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