Basic information
- CAS
23314-05-8- Standard SMILES
CCOC(=O)c1c(C)[nH]c([N+](=O)[O-])c1C- InChIKey
SEWAGIRNWAZCNM-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate
- English name
- Ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate
- Molecular formula
- C9H12N2O4
- Molecular weight
- 212.2
Names & synonyms
ethyl 2,4-dimethyl-5-nitro-1H-pyrrole-3-carboxylate23314-05-81H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl esterDTXSID50177872AKOS000732380AB13039ST061119ethyl 2,4-dimethyl-5-nitropyrrole-3-carboxylatePyrrole-3-carboxylic acid, 2,4-dimethyl-5-nitro-, ethyl ester
Database identifiers
- CAS
23314-05-8- PubChem CID
- 141018
- DTXSID
DTXSID50177872
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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