Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-
Basic information
- CAS
57803-23-3- Standard SMILES
CC(=O)c1cc(C)ccc1OB(F)F- InChIKey
RGXNXYHVYNFITG-UHFFFAOYSA-N- Molecular formula
- C9H9BF2O2
- Average molar mass
- 197.98 g/mol
- Monoisotopic mass
- 198.066366
Names & identifiers
- Preferred name
- Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-
- IUPAC
- 1-(2-difluoroboranyloxy-5-methylphenyl)ethanone
Names & synonyms
57803-23-3Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-DTXSID30398826AKOS0243224612-Acetyl-4-methylphenyl borodifluoridate2-acetyl-4-methylphenyl difluoridoborate
Database identifiers
- CAS
57803-23-3- PubChem CID
- 4055880
- DTXSID
DTXSID30398826
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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