1-(tert-Butoxycarbonyl)-2-iodo-1H-pyrrole

Base Information

• Chemical Name: 1-(tert-Butoxycarbonyl)-2-iodo-1H-pyrrole
• CAS No.: 117657-39-3
• Molecular Formula: C₉H₁₂INO₂
• Molecular Weight: 293.104
• DSSTox Substance ID: DTXSID301233863
• Nikkaji Number: J2.556.842G

Synonyms:117657-39-3;1H-Pyrrole-1-carboxylic acid, 2-iodo-, 1,1-dimethylethyl ester;1-(tert-Butoxycarbonyl)-2-iodo-1H-pyrrole;SCHEMBL13180192;DTXSID301233863;tert-butyl 2-iodopyrrole-1-carboxylate;1,1-Dimethylethyl 2-iodo-1H-pyrrole-1-carboxylate

Chemical Property of 1-(tert-Butoxycarbonyl)-2-iodo-1H-pyrrole

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 292.99128
• Heavy Atom Count: 13
• Complexity: 200

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Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=CC=C1I

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