Basic information
- Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])c(Cl)[nH]1- InChIKey
HDTSMWCRVXCKMP-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O4
- Average molar mass
- 218.59 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-chloro-4-nitropyrrole-2-carboxylate
- IUPAC
- ethyl 5-chloro-4-nitro-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL1775446HDTSMWCRVXCKMP-UHFFFAOYSA-Nethyl 5-chloro-4-nitropyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 67157147
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
4 records
Compound notes
Loading…