CAS
93777-26-5 Purity
98%+
93777-26-5 Purity
98%+
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The molecular formula is C7H9BrClN.
The molecular weight is 222.51 g/mol.
The IUPAC name is 4-bromo-3-methylaniline;hydrochloride.
The InChI is InChI=1S/C7H8BrN.ClH/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H.
The InChIKey is QNZVHQKKIGXCLI-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=CC(=C1)N)Br.Cl.
The CAS number is 202925-03-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 1.
Yes, it is a canonicalized compound.