13096-96-3 Purity
96%
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The molecular formula of the compound is C11H14BrNO.
The molecular weight of the compound is 256.14 g/mol.
The IUPAC name of the compound is 4-[(4-bromophenyl)methyl]morpholine.
The InChI of the compound is InChI=1S/C11H14BrNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2.
The InChIKey of the compound is KWJZFQQTDGVBOX-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1COCCN1CC2=CC=C(C=C2)Br.
The CAS number of the compound is 132833-51-3.
The EC number of the compound is 808-403-0.
The XLogP3 value of the compound is 2.3.
Yes, the compound is canonicalized.