Basic information
- CAS
27622-34-0- Standard SMILES
O=C(CBr)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1Cl- InChIKey
IYMQOZHYYDCVNN-UHFFFAOYSA-N- Molecular formula
- C22H18BrClO3
- Average molar mass
- 445.7 g/mol
- Monoisotopic mass
- 444.01278
Names & identifiers
- Preferred name
- 1-[3,4-Bis(benzyloxy)-2-chlorophenyl]-2-bromoethan-1-one
- IUPAC
- 2-bromo-1-[2-chloro-3,4-bis(phenylmethoxy)phenyl]ethanone
Names & synonyms
27622-34-0SCHEMBL11113784DTXSID005121381-[3,4-Bis(benzyloxy)-2-chlorophenyl]-2-bromoethan-1-one
Database identifiers
- CAS
27622-34-0- PubChem CID
- 12876191
- DTXSID
DTXSID00512138
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…