Basic information
- Standard SMILES
COC(=O)C(Br)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1- InChIKey
SXCNDRUTSRUNQC-UHFFFAOYSA-N- Molecular formula
- C16H12BrF3O3
- Average molar mass
- 389.16 g/mol
Names & identifiers
- Preferred name
- Methyl alpha-bromo-alpha-[p-(alpha,alpha,alpha-trifluoro-m-tolyloxy)phenyl]acetate
- IUPAC
- methyl 2-bromo-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetate
Names & synonyms
methyl alpha-bromo-alpha-[p-(alpha,alpha,alpha-trifluoro-m-tolyloxy)phenyl]acetateSCHEMBL11565128
Database identifiers
- PubChem CID
- 20392575
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
9 records
Compound notes
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