Basic information
- CAS
86588-03-6- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)C(Cl)Cl- InChIKey
OXUSVGMFOGGKNG-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N3O3S
- Average molar mass
- 256.07 g/mol
- Monoisotopic mass
- 254.9272175
Names & identifiers
- Preferred name
- 2,2-dichloro-N-(5-nitro-1,3-thiazol-2-yl)acetamide
- IUPAC
- 2,2-dichloro-N-(5-nitro-1,3-thiazol-2-yl)acetamide
Names & synonyms
2,2-dichloro-N-(5-nitro-1,3-thiazol-2-yl)acetamide86588-03-6DTXSID20314934RefChem:243192DTXCID90266057NSC2899302-dichloroacetamido-5-nitrothiazoleNSC-289930
Database identifiers
- CAS
86588-03-6- PubChem CID
- 324459
- DTXSID
DTXSID20314934
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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