Dimethyl (2-fluoro-6-methoxyphenyl)boronate
Basic information
- CAS
75626-21-0- Standard SMILES
COB(OC)c1c(F)cccc1OC- InChIKey
CBBKVMGVVSSNBO-UHFFFAOYSA-N- Molecular formula
- C9H12BFO3
- Average molar mass
- 198 g/mol
- Monoisotopic mass
- 198.0863526
Names & identifiers
- Preferred name
- Dimethyl (2-fluoro-6-methoxyphenyl)boronate
- IUPAC
- (2-fluoro-6-methoxyphenyl)-dimethoxyborane
- English name
- 2-Fluoro-6-methoxyphenylboronic acid dimethyl ester
- Molecular formula
- C9H12BFO3
- Molecular weight
- 198
Names & synonyms
75626-21-0Dimethyl (2-fluoro-6-methoxyphenyl)boronate(2-fluoro-6-methoxyphenyl)-dimethoxyborane2-FLUORO-6-METHOXYPHENYLBORONIC ACID DIMETHYL ESTERstarbld0016979DTXSID00703701DB-351195Elagolix Impurity 90Boronic acid, (2-fluoro-6-methoxyphenyl)-, dimethyl ester (9CI)
Database identifiers
- CAS
75626-21-0- PubChem CID
- 53471635
- DTXSID
DTXSID00703701
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 241.7 · 241.7±30.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…