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Triflusal

CAT: 0607-B1461-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B1461-25Size:25 mg
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Description
COX inhibitor
CAS Number
322-79-2
Product Name Alternative
2-acetyloxy-4-(trifluoromethyl)benzoic acid
Field of Research
Neuroscience COX
Purity
0.9985
Form
A solid
Solubility
insoluble in H2O; ≥106 mg/mL in EtOH; ≥12.41 mg/mL in DMSO
Smiles
CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
Molecular Formula
C10H7F3O4
Molecular Weight
248.16
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Triflusal

2-acetyloxy-4-(trifluoromethyl)benzoic acid is a member of benzoic acids, a member of salicylates and a carboxylic ester.

CAS Number322-79-2
PubChem CID9458
IUPAC Name2-acetyloxy-4-(trifluoromethyl)benzoic acid
Molecular FormulaC10H7F3O4
Molecular Weight248.15
XLogP2.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity313
SMILES
CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)
InChIKey
RMWVZGDJPAKBDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triflusal
CAS: 322-79-2
CID: 9458
Formula: C10H7F3O4
MW: 248.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.15
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass248.02964319
Monoisotopic Mass248.02964319
Topological Polar Surface Area63.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-T182100-01Triflusal

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