Basic information
- Standard SMILES
COC(=O)c1cc(-c2ncco2)cc([N+](=O)[O-])c1- InChIKey
GSVQMWMNXJXPRE-UHFFFAOYSA-N- Molecular formula
- C11H8N2O5
- Average molar mass
- 248.19 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-5-oxazol-2-yl-benzoic acid methyl ester
- IUPAC
- methyl 3-nitro-5-(1,3-oxazol-2-yl)benzoate
Names & synonyms
3-Nitro-5-oxazol-2-yl-benzoic acid methyl esterSCHEMBL2530044GSVQMWMNXJXPRE-UHFFFAOYSA-N900799-23-7DB-331439
Database identifiers
- PubChem CID
- 67440703
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
3 records
Compound notes
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