1592-95-6 Purity
95%+
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The molecular formula is C12H16BrNO2.
The molecular weight is 286.16 g/mol.
The IUPAC name is tert-butyl N-[(2-bromophenyl)methyl]carbamate.
The InChI is InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15).
The InChIKey is DFNZFCPEUDSNEO-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NCC1=CC=CC=C1Br.
The CAS number is 162356-90-3.
The European Community (EC) number is 625-758-5.
The DSSTox Substance ID is DTXSID40426987.
Yes, tert-butyl 2-bromobenzylcarbamate is a canonicalized compound.