2-(4-Bromo-3-methoxyphenyl)-2,2-difluoroethan-1-ol
Basic information
- CAS
2228656-15-1- Standard SMILES
COc1cc(C(F)(F)CO)ccc1Br- InChIKey
RPRMXBVXBFQTQX-UHFFFAOYSA-N- Molecular formula
- C9H9BrF2O2
- Average molar mass
- 267.07 g/mol
- Monoisotopic mass
- 265.9754
Names & identifiers
- Preferred name
- 2-(4-Bromo-3-methoxyphenyl)-2,2-difluoroethan-1-ol
- IUPAC
- 2-(4-bromo-3-methoxyphenyl)-2,2-difluoroethanol
- English name
- 2-(4-bromo-3-methoxyphenyl)-2，2-difluoroethan-1-ol
- Molecular formula
- C9H9BrF2O2
- Molecular weight
- 267.07
Names & synonyms
2-(4-Bromo-3-methoxyphenyl)-2,2-difluoroethan-1-ol2228656-15-1RPRMXBVXBFQTQX-UHFFFAOYSA-NEN300-19423702-(4-Bromo-3-methoxyphenyl)-2,2-difluoroethanolA1-606114-Bromo-β,β-difluoro-3-methoxybenzeneethanolBenzeneethanol, 4-bromo-β,β-difluoro-3-methoxy-2-(4-bromo-3-methoxyphenyl)-2，2-difluoroethan-1-ol
Database identifiers
- CAS
2228656-15-1- PubChem CID
- 153445328
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 341.8 · 341.8±42.0 °C(Predicted)
- Density
- 1.555 · 1.555±0.06 g/cm3(Predicted)
- pka
- 12.99 · 12.99±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…