954239-37-3 Purity
96%
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Specification
The molecular formula is C8H5BrN2O2.
The synonyms are 954239-64-6, 5-Bromobenzo[d]oxazole-2-carboxamide, 5-bromo-1,3-benzoxazole-2-carboxamide, and MFCD09832202.
The molecular weight is 241.04 g/mol.
It was created on July 1, 2014.
It was last modified on December 30, 2023.
The IUPAC name is 5-bromo-1,3-benzoxazole-2-carboxamide.
The InChI is InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)11-8(13-6)7(10)12/h1-3H,(H2,10,12).
The InChIKey is GYCRGEYPEQMNHR-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1Br)N=C(O2)C(=O)N.
The XLogP3 value is 2.1.