52289-93-7 Purity
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Specification
The molecular formula of 3'-Bromo-4'-fluoroacetophenone is C8H6BrFO.
The molecular weight of 3'-Bromo-4'-fluoroacetophenone is 217.03 g/mol.
The IUPAC name of 3'-Bromo-4'-fluoroacetophenone is 1-(3-bromo-4-fluorophenyl)ethanone.
The InChI of 3'-Bromo-4'-fluoroacetophenone is InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3.
The InChIKey of 3'-Bromo-4'-fluoroacetophenone is SZDWTGAORQQQGY-UHFFFAOYSA-N.
The canonical SMILES of 3'-Bromo-4'-fluoroacetophenone is CC(=O)C1=CC(=C(C=C1)F)Br.
The CAS number of 3'-Bromo-4'-fluoroacetophenone is 1007-15-4.
The EC number of 3'-Bromo-4'-fluoroacetophenone is 213-750-0.
The DSSTox Substance ID of 3'-Bromo-4'-fluoroacetophenone is DTXSID50143456.
Yes, 3'-Bromo-4'-fluoroacetophenone is a canonicalized compound.