Basic information
- CAS
1005515-09-2- Standard SMILES
COc1c(Br)cc(C(C)(OC)OC)cc1C(F)(F)F- InChIKey
GNKNFLBHLJLPNT-UHFFFAOYSA-N- Molecular formula
- C12H14BrF3O3
- Average molar mass
- 343.14 g/mol
- Monoisotopic mass
- 342.00784
Names & identifiers
- Preferred name
- 1-Bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-trifluoromethylbenzene
- IUPAC
- 1-bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-(trifluoromethyl)benzene
Names & synonyms
1-Bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-trifluoromethylbenzene1005515-09-21-bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-(trifluoromethyl)benzeneSCHEMBL1188715DTXSID601163328DB-390900
Database identifiers
- CAS
1005515-09-2- PubChem CID
- 58085697
- DTXSID
DTXSID601163328
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
12 records
Compound notes
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