Basic information
- Standard SMILES
CCOC(=O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1- InChIKey
KGHDFTIXWQUFMF-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S
- Average molar mass
- 278.29 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
Names & synonyms
ethyl 2-(4-nitrophenyl)-1,3-thiazole-5-carboxylateSCHEMBL2822552KGHDFTIXWQUFMF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53403660
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
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