Methyl 2-nitro-1,3-thiazole-5-carboxylate
Basic information
- CAS
5231-53-8- Standard SMILES
COC(=O)c1cnc([N+](=O)[O-])s1- InChIKey
HWJAGMPEGSTTCY-UHFFFAOYSA-N- Molecular formula
- C5H4N2O4S
- Average molar mass
- 188.16 g/mol
- Monoisotopic mass
- 187.98917779
Names & identifiers
- Preferred name
- Methyl 2-nitro-1,3-thiazole-5-carboxylate
- IUPAC
- methyl 2-nitro-1,3-thiazole-5-carboxylate
Names & synonyms
5231-53-8methyl 2-nitro-1,3-thiazole-5-carboxylateNSC310395DTXSID70317071NSC-310395
Database identifiers
- CAS
5231-53-8- PubChem CID
- 329210
- DTXSID
DTXSID70317071
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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