CAS
758697-66-4 Purity
96%
758697-66-4 Purity
96%
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Specification
The molecular formula is C8H6BrCl.
The molecular weight is 217.49 g/mol.
The IUPAC name is 1-(1-bromoethenyl)-4-chlorobenzene.
The InChI is InChI=1S/C8H6BrCl/c1-6(9)7-2-4-8(10)5-3-7/h2-5H,1H2.
The InChIKey is ZVDIEXFKTMIHIU-UHFFFAOYSA-N.
The canonical SMILES is C=C(C1=CC=C(C=C1)Cl)Br.
The CAS number is 89619-10-3.
The EC number is 624-625-9.
The DSSTox Substance ID is DTXSID70584862.
Yes, 1-(1-Bromovinyl)-4-chlorobenzene is canonicalized.