Basic information
- CAS
22996-95-8- Standard SMILES
Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)NN(C)C- InChIKey
KNJARHBBWVUSBR-UHFFFAOYSA-N- Molecular formula
- C11H12N4O5
- Average molar mass
- 280.24 g/mol
- Monoisotopic mass
- 280.0807695
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 2,2-dimethylhydrazide
- IUPAC
- N',N',5-trimethyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbohydrazide
Names & synonyms
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, 2,2-DIMETHYLHYDRAZIDE22996-95-85-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 2,2-dimethylhydrazideDTXSID20177546N',N',5-trimethyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carbohydrazide
Database identifiers
- CAS
22996-95-8- PubChem CID
- 31602
- DTXSID
DTXSID20177546
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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