CAS
13845-36-8 Purity
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13845-36-8 Purity
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Specification
The molecular formula is C12H9N3O2S.
Some synonyms include 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile and 3-Cyano-5-methyl-2-(2-nitroanilino)thiophene.
It was created in 2005.
The InChIKey is NPXUFPFFHANGDL-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N.
The molecular weight is 259.29 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 110 Ų.
It has 2 rotatable bond counts.
The complexity value is 362.