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Basic information
- CAS
78682-88-9- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)s1- InChIKey
GLXJWQYMCKBBGS-UHFFFAOYSA-N- Molecular formula
- C8H4ClN3O3S2
- Average molar mass
- 289.7 g/mol
- Monoisotopic mass
- 288.938261
Names & identifiers
- Preferred name
- 5-chloro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
- IUPAC
- 5-chloro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
Names & synonyms
78682-88-95-chloro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamideNSC205077SCHEMBL881752DTXSID30308581NSC-205077
Database identifiers
- CAS
78682-88-9- PubChem CID
- 307221
- DTXSID
DTXSID30308581
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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