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Chemical structure of 10-methyl-9-(phenoxycarbonyl) Acridinium (trifluoromethylsulfonate)

GC41866

10-methyl-9-(phenoxycarbonyl) Acridinium (trifluoromethylsulfonate)

Also known as phenyl 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate

10-methyl-9-(phenoxycarbonyl) Acridinium is an acridinium ester that produces fluorescent 10-methyl-9-acridone upon oxidation with hydrogen peroxide, persulfates, and other oxidants in alkaline conditions

ChemicalCAS161006-14-0MW463.4FormulaC21H16NO2•CF3O3S
CAS number
161006-14-0
Molecular weight
463.4
Formula
C21H16NO2•CF3O3S
Solubility
DMF： 20 mg/mL,DMSO： 20 mg/mL,DMSO：PBS (pH 7·2) (1：6)： 0·15 mg/mL
InChIKey
RPYQDSABWVKCEJ-UHFFFAOYSA-M
Catalogue number
GC41866
Brand
GLPBIO
Computed properties PubChem CID 15476282 · TPSA 95.8 Ų · H-bond donors 0 · H-bond acceptors 8
TPSA
95.8 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
32

SMILES C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Computed descriptors from PubChem (CID 15476282), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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