Basic information
- CAS
887407-92-3- Standard SMILES
CCc1noc(-c2ccccc2[N+](=O)[O-])c1C(=O)[O-]- InChIKey
KZXAIOXZHFVDAH-UHFFFAOYSA-M- Molecular formula
- C12H9N2O5-
- Average molar mass
- 261.21 g/mol
- Monoisotopic mass
- 261.05114639
Names & identifiers
- Preferred name
- 3-Ethyl-5-(2-nitrophenyl)-1,2-oxazole-4-carboxylate
- IUPAC
- 3-ethyl-5-(2-nitrophenyl)-1,2-oxazole-4-carboxylate
Names & synonyms
3-ethyl-5-(2-nitrophenyl)-1,2-oxazole-4-carboxylateDTXSID10610053
Database identifiers
- CAS
887407-92-3- PubChem CID
- 20848784
- DTXSID
DTXSID10610053
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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