alpha-Bromo-3'-methoxy-4'-chloropropoxyacetophenone
Basic information
- Standard SMILES
COc1cc(C(=O)CBr)ccc1OCCCCl- InChIKey
JNJFZUQDPHCBST-UHFFFAOYSA-N- Molecular formula
- C12H14BrClO3
- Average molar mass
- 321.59 g/mol
Names & identifiers
- Preferred name
- alpha-Bromo-3'-methoxy-4'-chloropropoxyacetophenone
- IUPAC
- 2-bromo-1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone
Names & synonyms
SCHEMBL5262941JNJFZUQDPHCBST-UHFFFAOYSA-Nalpha-bromo-3'-methoxy-4'-chloropropoxyacetophenone
Database identifiers
- PubChem CID
- 22015629
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Related reactions
5 records
Compound notes
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