alpha-Bromo-2'-methyl-4'-chloropropoxyacetophenone
Basic information
- Standard SMILES
Cc1cc(OCCCCl)ccc1C(=O)CBr- InChIKey
CBKSBGBTPAPMCE-UHFFFAOYSA-N- Molecular formula
- C12H14BrClO2
- Average molar mass
- 305.59 g/mol
- Monoisotopic mass
- 303.98657
Names & identifiers
- Preferred name
- alpha-Bromo-2'-methyl-4'-chloropropoxyacetophenone
- IUPAC
- 2-bromo-1-[4-(3-chloropropoxy)-2-methylphenyl]ethanone
Names & synonyms
SCHEMBL5262015CBKSBGBTPAPMCE-UHFFFAOYSA-Nalpha-bromo-2'-methyl-4'-chloropropoxyacetophenone
Database identifiers
- PubChem CID
- 22015662
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
9 records
Compound notes
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