CAS
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Specification
The molecular formula is C7H9BrClN.
The molecular weight is 222.51 g/mol.
The IUPAC Name is 4-bromo-2-methylaniline;hydrochloride.
The InChI is InChI=1S/C7H8BrN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H.
The InChIKey is UDRDAMWXUPMNJW-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=CC(=C1)Br)N.Cl.
The CAS number is 13194-70-2.
The European Community (EC) number is 603-536-9.
The hydrogen bond donor count is 2.
Yes, 4-Bromo-2-methylaniline hydrochloride is a canonicalized compound.