Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-4-oxo-4H-chromen-7-yl ester

HCID 86625612
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Basic information

Standard SMILES
CC(C)c1oc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(=O)c1-c1ccc(Cl)cc1
InChIKey
XUKZEFMDINVYHX-UHFFFAOYSA-N
Molecular formula
C19H14ClF3O5S
Average molar mass
446.8 g/mol

Names & identifiers

Preferred name
Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-4-oxo-4H-chromen-7-yl ester
IUPAC
[3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl] trifluoromethanesulfonate

Names & synonyms

Trifluoromethanesulfonic acid 3-(4-chlorophenyl)-2-isopropyl-4-oxo-4H-chromen-7-yl esterSCHEMBL3578968

Database identifiers

PubChem CID
86625612

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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