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Halo-DBCO
Catalog Number | 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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