CAS
450-88-4 Purity
98%+
450-88-4 Purity
98%+
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The molecular formula is C7H5BrClF.
The molecular weight is 223.47 g/mol.
The IUPAC name is 1-(bromomethyl)-3-chloro-2-fluorobenzene.
The InChI is InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2.
The InChIKey is HYILLTADABKYHO-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C(=C1)Cl)F)CBr.
The CAS number is 85070-47-9.
The XLogP3-AA value is 3.2.
Yes, it is a canonicalized compound.