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Halo-DBCO
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Halo-DBCO

Catalog NumberCCR1808119165
CAS1808119-16-5
IUPAC Name4-(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 Weight511.0
Molecular FormulaC29H35ClN2O4
Canonical SMILESC1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCCCCCCl
InChIInChI=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 KeyIPBMADSLMZUFQN-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity733
Exact Mass510.2285353
Monoisotopic Mass510.2285353
Topological Polar Surface Area67.9Ų

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