41731-83-3 Purity
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PubChem CID 22109
The molecular formula is C6H4BrNO3.
Some synonyms include 2-BROMO-4-NITROPHENOL, Phenol, 2-bromo-4-nitro-, and 4-HYDROXY-3-BROMONITROBENZENE.
The molecular weight is 218.00 g/mol.
The IUPAC name is 2-bromo-4-nitrophenol.
The InChI of 2-Bromo-4-nitrophenol is InChI=1S/C6H4BrNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H.
The InChIKey is DCIPFSYBGTWYCR-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1[N+](=O)[O-])Br)O.
The CAS number is 5847-59-6.
Yes, 2-Bromo-4-nitrophenol is a canonicalized compound according to PubChem.