697-73-4 Purity
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Specification
The molecular formula of 1-Benzyl-4-bromobenzene is C13H11Br.
The molecular weight of 1-Benzyl-4-bromobenzene is 247.13 g/mol.
The IUPAC name of 1-Benzyl-4-bromobenzene is 1-benzyl-4-bromobenzene.
The InChI of 1-Benzyl-4-bromobenzene is InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2.
The InChIKey of 1-Benzyl-4-bromobenzene is NNEOYCMCJMLRSD-UHFFFAOYSA-N.
The canonical SMILES of 1-Benzyl-4-bromobenzene is C1=CC=C(C=C1)CC2=CC=C(C=C2)Br.
The CAS number of 1-Benzyl-4-bromobenzene is 2116-36-1.
The EC number of 1-Benzyl-4-bromobenzene is 674-074-3.
The DSSTox Substance ID of 1-Benzyl-4-bromobenzene is DTXSID60284607.
Yes, 1-Benzyl-4-bromobenzene is considered as a canonicalized compound.