5-Nitro-2-(pyridin-3-yl)-1,3-benzothiazole

Base Information

• Chemical Name: 5-Nitro-2-(pyridin-3-yl)-1,3-benzothiazole
• CAS No.: 61352-26-9
• Molecular Formula: C12H7N3O2S
• DSSTox Substance ID: DTXSID30509713
• Wikidata: Q82367513

Synonyms:61352-26-9;SCHEMBL11779105;DTXSID30509713;BARHFYGIQWEEDR-UHFFFAOYSA-N;5-Nitro-2-(3-pyridinyl)benzothiazole;5-Nitro-2-(pyridin-3-yl)-1,3-benzothiazole

Chemical Property of 5-Nitro-2-(pyridin-3-yl)-1,3-benzothiazole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.02589765
• Heavy Atom Count: 18
• Complexity: 323

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• Canonical SMILES: C1=CC(=CN=C1)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

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