CAS
947691-87-4 Purity
96%
947691-87-4 Purity
96%
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The molecular formula is C11H9I.
The structure was created on July 19, 2005.
The IUPAC Name is 4-(iodomethyl)azulene.
The InChI is InChI=1S/C11H9I/c12-8-10-5-2-1-4-9-6-3-7-11(9)10/h1-7H,8H2.
The InChIKey is FGSKQLOAIUDGNE-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C2=CC=CC2=C1)CI.
The molecular weight is 268.09 g/mol.
Azulene, 4-(iodomethyl)- has 0 hydrogen bond donor counts.
The topological polar surface area is 0-2.
Yes, the compound is canonicalized.