Basic information
- Standard SMILES
CCOc1c(Br)cc2c(c1Cl)OC(C)(C)CC2=O- InChIKey
VECMSMJVKRIVAT-UHFFFAOYSA-N- Molecular formula
- C13H14BrClO3
- Average molar mass
- 333.6 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-8-chloro-7-ethoxy-2,2-dimethyl-chroman-4-one
- IUPAC
- 6-bromo-8-chloro-7-ethoxy-2,2-dimethyl-3H-chromen-4-one
Names & synonyms
SCHEMBL6281392VECMSMJVKRIVAT-UHFFFAOYSA-N6-Bromo-8-chloro-7-ethoxy-2,2-dimethyl-chroman-4-one
Database identifiers
- PubChem CID
- 22490797
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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