CAS
53020-08-9 Purity
96%
53020-08-9 Purity
96%
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Specification
The molecular formula is C7H8BrN.
The molecular weight is 186.05 g/mol.
The IUPAC name is 2-bromo-5-methylaniline.
The InChI is InChI=1S/C7H8BrN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3.
The InChIKey is QTAQWOXSUFGGKH-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1)Br)N.
The CAS number is 53078-85-6.
The EC number is 628-662-1.
The XLogP3 value is 2.
Yes, 2-Bromo-5-methylaniline is a canonicalized compound.