36825-36-2 Purity
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Specification
The molecular formula of the compound is C10H8BrNO.
The molecular weight of the compound is 238.08 g/mol.
The IUPAC name of the compound is 4-(bromomethyl)-5-phenyl-1,3-oxazole.
The InChI of the compound is InChI=1S/C10H8BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H,6H2.
The InChIKey of the compound is WHYSMAZUGYWNJN-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C=C1)C2=C(N=CO2)CBr.
The CAS number of the compound is 368869-94-7.
The European Community (EC) number of the compound is 810-860-6.
The DSSTox Substance ID of the compound is DTXSID40379969.
The topological polar surface area of the compound is 26Ų.