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Specification
The molecular formula of the compound is C7H9ClN2.
The molecular weight of the compound is 156.61 g/mol.
The IUPAC name of the compound is 4-chloro-5-methylbenzene-1,2-diamine.
The InChI of the compound is InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3.
The InChIKey of the compound is HOFKXNBVTNUDSH-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC(=C(C=C1Cl)N)N.
The CAS number of the compound is 63155-04-4.
The EC number of the compound is 639-348-9.
The ChEMBL ID of the compound is CHEMBL3237625.
Yes, the compound is canonicalized.