CID 2879797
Basic information
- CAS
364381-12-4- Standard SMILES
CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SCC1=O- InChIKey
HYQUHMKLBMSXFZ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5S
- Average molar mass
- 308.31 g/mol
- Monoisotopic mass
- 308.04669266
Names & identifiers
- Preferred name
- CID 2879797
- IUPAC
- ethyl 2-(4-nitroanilino)-4-oxothiophene-3-carboxylate
- English name
- ethyl 2-{4-nitroanilino}-4-oxo-4,5-dihydro-3-thiophenecarboxylate
- Molecular formula
- C13H12N2O5S
- Molecular weight
- 308.30978
Names & synonyms
ethyl 2-{4-nitroanilino}-4-oxo-4,5-dihydro-3-thiophenecarboxylate
Database identifiers
- CAS
364381-12-4- PubChem CID
- 2879797
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
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