CAS
90357-06-5 Purity
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90357-06-5 Purity
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Specification
The molecular formula is C8H11BrClN.
The molecular weight is 236.53 g/mol.
The IUPAC name is 1-(3-bromophenyl)-N-methylmethanamine hydrochloride.
The InChIKey is RTANEIHCHYBEKK-UHFFFAOYSA-N.
The Canonical SMILES is CNCC1=CC(=CC=C1)Br.Cl.
The CAS number is 90389-51-8.
There are 2 hydrogen bond donor counts.
There is 1 hydrogen bond acceptor count.
The topological polar surface area is 12.2.
Yes, the compound is canonicalized.