Basic information
- CAS
102297-63-2- Standard SMILES
CCOC(=O)c1cc(=O)c2ccc(Br)cc2o1- InChIKey
KPQMKUQLMDTDKH-UHFFFAOYSA-N- Molecular formula
- C12H9BrO4
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 295.96842
Names & identifiers
- Preferred name
- Ethyl 7-bromo-4-oxo-4H-chromene-2-carboxylate
- IUPAC
- ethyl 7-bromo-4-oxochromene-2-carboxylate
Names & synonyms
102297-63-2Ethyl 7-bromo-4-oxo-4H-chromene-2-carboxylateEthyl 7-bromo-4-oxo-4H-1-benzopyran-2-carboxylateDTXSID00544075
Database identifiers
- CAS
102297-63-2- PubChem CID
- 13570710
- DTXSID
DTXSID00544075- Nikkaji
- J3.170.669F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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