CAS
114165-30-9 Purity
97 %
114165-30-9 Purity
97 %
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The molecular formula is C9H11BrClN.
The molecular weight is 248.55 g/mol.
The IUPAC name is 7-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride.
The InChI is InChI=1S/C9H10BrN.ClH/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h3-4,6,11H,1-2,5H2;1H.
The InChIKey is KPGKNWBIPSLETQ-UHFFFAOYSA-N.
The canonical SMILES is C1CC2=C(C=C(C=C2)Br)NC1.Cl.
The CAS number is 1195901-53-1.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 1.
Yes, it is a canonicalized compound.