2,3-Dimethyl-4-nitrophenyl trifluoromethanesulfonate

HCID 22933396
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Basic information

Standard SMILES
Cc1c(OS(=O)(=O)C(F)(F)F)ccc([N+](=O)[O-])c1C
InChIKey
SCWUVALMKDHIBM-UHFFFAOYSA-N
Molecular formula
C9H8F3NO5S
Average molar mass
299.23 g/mol
Monoisotopic mass
299.00752802

Names & identifiers

Preferred name
2,3-Dimethyl-4-nitrophenyl trifluoromethanesulfonate
IUPAC
(2,3-dimethyl-4-nitrophenyl) trifluoromethanesulfonate

Names & synonyms

2,3-dimethyl-4-nitrophenyl trifluoromethanesulfonateSCHEMBL4471027DB-3919982,3-dimethyl-4-nitrophenyl trifluoromethane-sulfonateTrifluoromethanesulfonic acid 2,3-dimethyl-4-nitrophenyl ester478837-20-6

Database identifiers

PubChem CID
22933396

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
97.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
19

Related reactions

6 records
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Compound notes

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