CAS
77326-62-6 Purity
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77326-62-6 Purity
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Specification
The molecular formula is C7H8BrN.
The molecular weight is 186.05 g/mol.
The IUPAC name is 3-bromo-4-methylaniline.
The InChI is InChI=1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3.
The InChIKey is GRXMMIBZRMKADT-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=C(C=C1)N)Br.
The CAS number is 7745-91-7.
The molecular weight is 186.05 g/mol.
The XLogP3 value is 1.5.
Yes, 3-Bromo-4-methylaniline is canonicalized.