CAS
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Specification
The molecular formula is C6H7BrN2.
The molecular weight is 187.04 g/mol.
The IUPAC name is 3-bromobenzene-1,2-diamine.
The InChI is InChI=1S/C6H7BrN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2.
The InChIKey is VWYTZNPMXYCBPK-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C(=C1)Br)N)N.
The CAS number is 1575-36-6.
The EC number is 811-547-7.
Yes, it is a canonicalized compound.