CAS
878207-82-0 Purity
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878207-82-0 Purity
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The molecular formula is C8H5BrN2O2.
The molecular weight is 241.04 g/mol.
The IUPAC name is 6-bromo-1H-quinazoline-2,4-dione.
The InChI is InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13).
The InChIKey is JZDVFUAHGLJVQG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1Br)C(=O)NC(=O)N2.
The CAS number is 88145-89-5.
The EC number is 689-305-3.
The monoisotopic mass is 239.95344 g/mol.
Yes, it is a canonicalized compound.