2-[4-Bromo-2-(trifluoromethyl)phenoxy]acetic acid
Basic information
- CAS
1502060-14-1- Standard SMILES
O=C(O)COc1ccc(Br)cc1C(F)(F)F- InChIKey
CBLQGQJRJFGQEB-UHFFFAOYSA-N- Molecular formula
- C9H6BrF3O3
- Average molar mass
- 299.04 g/mol
- Monoisotopic mass
- 297.94524
Names & identifiers
- Preferred name
- 2-[4-Bromo-2-(trifluoromethyl)phenoxy]acetic acid
- IUPAC
- 2-[4-bromo-2-(trifluoromethyl)phenoxy]acetic acid
- English name
- 2-[4-Bromo-2-(trifluoromethyl)phenoxy]acetic acid
- Molecular formula
- C9H6BrF3O3
- Molecular weight
- 299.04
Names & synonyms
1502060-14-12-[4-bromo-2-(trifluoromethyl)phenoxy]acetic acid(4-Bromo-2-trifluoromethyl-phenoxy)-acetic acid2-[4-bromo-2-(trifluoromethyl)phenoxy]aceticacidSCHEMBL23321157MFCD32702436SY523031G39802EN300-1628159A1-33610Z1723875045
Database identifiers
- CAS
1502060-14-1- PubChem CID
- 83409144
- EC Number
- 194-055-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 335.2 · 335.2±42.0 °C(Predicted)
- Density
- 1.716 · 1.716±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 2.92 · 2.92±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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