Basic information
- Standard SMILES
CCOC(=O)c1cc(Br)c(C#N)[nH]1- InChIKey
RMWDTROSJYLHDD-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O2
- Average molar mass
- 243.06 g/mol
- Monoisotopic mass
- 241.96909
Names & identifiers
- Preferred name
- ethyl 4-bromo-5-cyano-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-bromo-5-cyano-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL5077719RMWDTROSJYLHDD-UHFFFAOYSA-Nethyl 4-bromo-5-cyano-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 58529640
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Related reactions
4 records
Compound notes
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