Ethyl 3-(4-bromobenzoyl)-8-cyano-1-indolizinecarboxylate
Basic information
- CAS
892158-78-0- Standard SMILES
CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2cccc(C#N)c12- InChIKey
GUJFIDPSBCRSIN-UHFFFAOYSA-N- Molecular formula
- C19H13BrN2O3
- Average molar mass
- 397.2 g/mol
- Monoisotopic mass
- 396.01095
Names & identifiers
- Preferred name
- Ethyl 3-(4-bromobenzoyl)-8-cyano-1-indolizinecarboxylate
- IUPAC
- ethyl 3-(4-bromobenzoyl)-8-cyanoindolizine-1-carboxylate
Names & synonyms
AKOS024408994ethyl 3-(4-bromobenzoyl)-8-cyano-1-indolizinecarboxylate
Database identifiers
- CAS
892158-78-0- PubChem CID
- 4158686
- EC Number
- 126-876-5
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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