3-Methoxy-4-trifluoromethylsulfonyloxybenzoic acid methyl ester

HCID 10615134
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Basic information

Standard SMILES
COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1
InChIKey
MZLRXMHEFUFTFO-UHFFFAOYSA-N
Molecular formula
C10H9F3O6S
Average molar mass
314.24 g/mol

Names & identifiers

Preferred name
3-Methoxy-4-trifluoromethylsulfonyloxybenzoic acid methyl ester
IUPAC
methyl 3-methoxy-4-(trifluoromethylsulfonyloxy)benzoate

Names & synonyms

3-methoxy-4-trifluoromethylsulfonyloxybenzoic acid methyl esterSCHEMBL2934710SCHEMBL312388763-methoxy-4-trifluoromethane-sulfonyloxy-benzoic acid methyl ester175153-75-0DB-085985methyl 3-methoxy-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Database identifiers

PubChem CID
10615134
Nikkaji
J2.292.696I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
87.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
20

Related reactions

6 records
New reaction record

Compound notes

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