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PubChem CID 3928639.
The molecular formula is C8H8BrNO2.
Some synonyms include methyl 3-amino-4-bromobenzoate, 46064-79-3, MFCD00553090, 3-amino-4-bromo-benzoic acid methyl ester.
The molecular weight is 230.06 g/mol.
The IUPAC name is methyl 3-amino-4-bromobenzoate.
The InChI is InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3.
The InChIKey is GPMSTDWXXKAKCT-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=C(C=C1)Br)N.
The CAS number is 46064-79-3.
Yes, it is the canonicalized compound.
455-85-6
4592-94-3
46026-75-9
461432-22-4
461432-23-5
29558-77-8
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