Basic information
- CAS
24744-57-8- Standard SMILES
CCOC(=O)CC1(O)C=C(Br)C(=O)C(Br)=C1- InChIKey
LXZLYHJZZYJITG-UHFFFAOYSA-N- Molecular formula
- C10H10Br2O4
- Average molar mass
- 353.99 g/mol
- Monoisotopic mass
- 351.89458
Names & identifiers
- Preferred name
- 3,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetate
- IUPAC
- ethyl 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Names & synonyms
24744-57-8J5LDXFQ2XNNSC-2890713,5-Dibromo-1-hydroxy-4-oxo-2,5-cyclohexadien-1-ethylacetateUNII-J5LDXFQ2XNNSC289071DTXSID40947667NSC 289071Ethyl (3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate2,5-CYCLOHEXADIENE-1-ACETIC ACID, 3,5-DIBROMO-1-HYDROXY-4-OXO-, ETHYL ESTER
Database identifiers
- CAS
24744-57-8- PubChem CID
- 100322
- DTXSID
DTXSID40947667- UNII
- J5LDXFQ2XN
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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