34604-60-9 Purity
97%
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Specification
The molecular formula is C7H7Cl2N3O.
The molecular weight is 220.05 g/mol.
The IUPAC name is 3,5-dichloro-6-ethylpyrazine-2-carboxamide.
The InChI string is InChI=1S/C7H7Cl2N3O/c1-2-3-5(8)12-6(9)4(11-3)7(10)13/h2H2,1H3,(H2,10,13).
The InChIKey is KMIXLCQPYRNBEH-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=C(N=C(C(=N1)C(=O)N)Cl)Cl.
The XLogP3-AA value is 1.7.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
Reference: [1] Patent: US2012/40968, 2012, A1, . Location in patent: Page/Page column 22
Reference: [1]Patent: US2012/40968,2012,A1 .Location in patent: Page/Page column 22
Reference: [1]Patent: US2012/40968,2012,A1
* For details of the synthesis route, please refer to the original source to ensure accuracy.