CAS
310436-61-4 Purity
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310436-61-4 Purity
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The molecular formula is C10H13BrN2.
The molecular weight is 241.13 g/mol.
The IUPAC name is 1-(3-bromophenyl)piperazine.
The InChI is InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2.
The InChIKey is DOYNABJKDZARLF-UHFFFAOYSA-N.
The canonical SMILES is C1CN(CCN1)C2=CC(=CC=C2)Br.
The CAS number is 31197-30-5.
The European Community (EC) number is 673-029-5.
The DSSTox Substance ID is DTXSID40953283.
Yes, it is a canonicalized compound.