CAS
64248-56-2 Purity
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64248-56-2 Purity
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Specification
The molecular formula is C7H5Br2F.
One of the synonyms is 4-Bromo-1-(bromomethyl)-2-fluorobenzene.
The molecular weight is 267.92 g/mol.
The IUPAC name is 4-bromo-1-(bromomethyl)-2-fluorobenzene.
The InChI is InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2.
The InChIKey is XMHNLZXYPAULDF-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)F)CBr.
The CAS number is 76283-09-5.
Yes, it is a canonicalized compound.