N-Butyl-3-nitro-5-isoxazolecarboxamide
Basic information
- CAS
1224594-01-7- Standard SMILES
CCCCNC(=O)c1cc([N+](=O)[O-])no1- InChIKey
RVUKRDHCFIYTAI-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- N-Butyl-3-nitro-5-isoxazolecarboxamide
- IUPAC
- N-butyl-3-nitro-1,2-oxazole-5-carboxamide
Names & synonyms
N-Butyl-3-nitro-5-isoxazolecarboxamideDTXSID3012848781224594-01-7N-butyl-3-nitro-1,2-oxazole-5-carboxamide
Database identifiers
- CAS
1224594-01-7- PubChem CID
- 46217656
- DTXSID
DTXSID301284878
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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