1,3-Diethyl 2-[[2-bromo-6-(trifluoromethyl)phenyl]methyl]propanedioate
Basic information
- CAS
69902-85-8- Standard SMILES
CCOC(=O)C(Cc1c(Br)cccc1C(F)(F)F)C(=O)OCC- InChIKey
UVVQUABEFZAFAY-UHFFFAOYSA-N- Molecular formula
- C15H16BrF3O4
- Average molar mass
- 397.18 g/mol
- Monoisotopic mass
- 396.01841
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-[[2-bromo-6-(trifluoromethyl)phenyl]methyl]propanedioate
- IUPAC
- diethyl 2-[[2-bromo-6-(trifluoromethyl)phenyl]methyl]propanedioate
Names & synonyms
SCHEMBL11526043DTXSID4011534641,3-Diethyl 2-[[2-bromo-6-(trifluoromethyl)phenyl]methyl]propanedioate69902-85-8Diethyl {[2-bromo-6-(trifluoromethyl)phenyl]methyl}propanedioate
Database identifiers
- CAS
69902-85-8- PubChem CID
- 54374958
- DTXSID
DTXSID401153464
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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