85259-19-4 Purity
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Specification
The molecular formula is C9H8BrN3O2.
The synonyms are Ammonium 6-bromoquinazoline-4-carboxylate, 474710-80-0, azanium;6-bromoquinazoline-4-carboxylate, 6-Bromoquinazoline-4-carboxylic acid, ammonia salt, and 4-Quinazolinecarboxylic acid, 6-bromo-, ammonium salt.
The molecular weight is 270.08 g/mol.
The parent compound is CID 22032171 (6-Bromoquinazoline-4-carboxylic acid).
The component compounds are CID 222 (Ammonia) and CID 22032171 (6-Bromoquinazoline-4-carboxylic acid).
It was created on December 5, 2007.
It was last modified on December 2, 2023.
The IUPAC name is azanium;6-bromoquinazoline-4-carboxylate.
The InChI is InChI=1S/C9H5BrN2O2.H3N/c10-5-1-2-7-6(3-5)8(9(13)14)12-4-11-7;/h1-4H,(H,13,14);1H3.
The Canonical SMILES is C1=CC2=C(C=C1Br)C(=NC=N2)C(=O)[O-].[NH4+].