Basic information
- CAS
4225-93-8- Standard SMILES
Cc1cc(C)c(C(=O)C(C)Br)c(C)c1- InChIKey
JMEDWDLODZHIOG-UHFFFAOYSA-N- Molecular formula
- C12H15BrO
- Average molar mass
- 255.15 g/mol
- Monoisotopic mass
- 254.03063
Names & identifiers
- Preferred name
- 2-Bromo-1-(2,4,6-trimethylphenyl)-1-propanone
- IUPAC
- 2-bromo-1-(2,4,6-trimethylphenyl)propan-1-one
Names & synonyms
4225-93-82-Bromo-1-(2,4,6-trimethylphenyl)-1-propanoneRefChem:256779a-bromopropionyl mesityleneSCHEMBL8839023DTXSID5012523822-bromo-1-(2,4,6-trimethylphenyl)propan-1-one
Database identifiers
- CAS
4225-93-8- PubChem CID
- 14972770
- DTXSID
DTXSID501252382
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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