Basic information
- Standard SMILES
COC(=O)c1cc(Br)cn1CC(=O)c1ccc(Cl)cc1- InChIKey
YDAMFVNDQFICIT-UHFFFAOYSA-N- Molecular formula
- C14H11BrClNO3
- Average molar mass
- 356.6 g/mol
Names & identifiers
- Preferred name
- methyl 4-bromo-1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 4-bromo-1-[2-(4-chlorophenyl)-2-oxoethyl]pyrrole-2-carboxylate
Names & synonyms
SCHEMBL2331420YDAMFVNDQFICIT-UHFFFAOYSA-Nmethyl 4-bromo-1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 67366602
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
6 records
Compound notes
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