Basic information
- CAS
22996-62-9- Standard SMILES
Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)OC(C)(C)C- InChIKey
BOPGHMJTSIFKBY-UHFFFAOYSA-N- Molecular formula
- C13H14N2O6
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.08518617
Names & identifiers
- Preferred name
- 4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, tert-BUTYL ESTER
- IUPAC
- tert-butyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Names & synonyms
4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, tert-BUTYL ESTER22996-62-95-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid tert-butyl esterDTXSID80177542tert-butyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Database identifiers
- CAS
22996-62-9- PubChem CID
- 31599
- DTXSID
DTXSID80177542
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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