CAS
2550-36-9 Purity
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2550-36-9 Purity
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The molecular formula is C13H11Br.
The molecular weight is 247.13 g/mol.
The IUPAC name is 1-(bromomethyl)-4-phenylbenzene.
The InChI is InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2.
The InChIKey is HZQLUIZFUXNFHK-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=CC=C(C=C2)CBr.
The CAS number is 2567-29-5.
The European Community (EC) number is 663-894-7.
The DSSTox Substance ID is DTXSID40292866.
Yes, 4-(Bromomethyl)-biphenyl is a canonicalized compound.