Basic information
- CAS
6941-44-2- Standard SMILES
CC(C)c1ccc(C(=O)C(Br)C(Br)c2ccccc2)c(C(C)C)c1- InChIKey
SZMRSEVTGQLZEF-UHFFFAOYSA-N- Molecular formula
- C21H24Br2O
- Average molar mass
- 452.2 g/mol
- Monoisotopic mass
- 450.01939
Names & identifiers
- Preferred name
- 2,3-Dibromo-1-[2,4-di(propan-2-yl)phenyl]-3-phenylpropan-1-one
- IUPAC
- 2,3-dibromo-1-[2,4-di(propan-2-yl)phenyl]-3-phenylpropan-1-one
Names & synonyms
6941-44-22,3-dibromo-1-[2,4-di(propan-2-yl)phenyl]-3-phenylpropan-1-oneNSC40425DTXSID90285086NSC-40425
Database identifiers
- CAS
6941-44-2- PubChem CID
- 237151
- DTXSID
DTXSID90285086
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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