CAS
65550-78-9 Purity
98%
65550-78-9 Purity
98%
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Specification
The molecular formula is C12H9BrS.
The molecular weight is 265.17 g/mol.
The IUPAC Name is 1-bromo-4-phenylsulfanylbenzene.
The InChI is InChI=1S/C12H9BrS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H.
The InChIKey is GLXVKUVWFRUQHW-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)SC2=CC=C(C=C2)Br.
The CAS number is 65662-88-6.
The European Community (EC) number is 659-370-2.
The DSSTox Substance ID is DTXSID70309951.
Yes, the compound is canonicalized.