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2',4'-Difluoro-2-methanesulfonyloxypropiophenone

HCID 20079595
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(OS(C)(=O)=O)C(=O)c1ccc(F)cc1F
InChIKey
HKLBOISEJNQTGC-UHFFFAOYSA-N
Molecular formula
C10H10F2O4S
Average molar mass
264.25 g/mol
Monoisotopic mass
264.02678629

Names & identifiers

Preferred name
2',4'-Difluoro-2-methanesulfonyloxypropiophenone
IUPAC
[1-(2,4-difluorophenyl)-1-oxopropan-2-yl] methanesulfonate

Names & synonyms

SCHEMBL9045964HKLBOISEJNQTGC-UHFFFAOYSA-N2',4'-difluoro-2-methanesulfonyloxypropiophenone

Database identifiers

PubChem CID
20079595

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
376

Related reactions

2 records
New reaction record
HRID 1654215 reaction equation
HRID 1654215As productuspto-grants-1995_04
HRID 2140499 reaction equation
HRID 2140499As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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