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Pentafluorophenyl Isocyanate

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  1. Tamaki Hoshikawa,
  2. Masanori Nagatomo,
  3. Masayuki Inoue

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01621

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

COMPOUND RECORD :


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Summary

Compound Information

FormulaC27H24F5N3O3
Molecular Weight533.4898
SynonymsNot available

Structure Descriptors

SMILES:COc1ccc2nccc([C@@H](OC(=O)Nc3c(F)c(F)c(F)c(F)c3F)[C@@H]3C[C@@H]4CCN3CC4C=C)c2c1
InChI:1S/C27H24F5N3O3/c1-3-13-12-35-9-7-14(13)10-19(35)26(16-6-8-33-18-5-4-15(37-2)11-17(16)18)38-27(36)34-25-23(31)21(29)20(28)22(30)24(25)32/h3-6,8,11,13-14,19,26H,1,7,9-10,12H2,2H3,(H,34,36)/t13?,14-,19-,26+/m0/s1
InChIKey:GMHBQNYZAXMVIF-CXNKBGNOSA-N