CAS
939758-29-9 Purity
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939758-29-9 Purity
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Specification
The molecular formula is C9H10IN.
It was created on 2007-07-30.
The IUPAC name is 5-iodo-1,2,3,4-tetrahydroisoquinoline.
The molecular weight is 259.09 g/mol.
The Canonical SMILES is C1CNCC2=C1C(=CC=C2)I.
There is 1 hydrogen bond donor count.
The XLogP3-AA value is 2.
The topological polar surface area is 122.
No, it does not have any defined atom or bond stereocenter count.
Yes, it is considered as canonicalized compound.