CAS
1823921-17-0 Purity
97%
1823921-17-0 Purity
97%
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Specification
The molecular formula is C8H4F3N3O2.
The molecular weight is 231.13 g/mol.
It was created on November 30, 2012.
The IUPAC name is 6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
The InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)5-3-14-2-4(7(15)16)13-6(14)1-12-5/h1-3H,(H,15,16).
The InChIKey is WPVWVKPPONZTDT-UHFFFAOYSA-N.
The canonical SMILES is C1=C(N=C2N1C=C(N=C2)C(F)(F)F)C(=O)O.
The XLogP3-AA value is 1.5.
It has 1 hydrogen bond donor count.
It has 7 hydrogen bond acceptor count.