Products for Research Use Only
RegisterLogin

Desacetyl Triflusal

CAT: 1596-AR-T03001-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-T03001-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
328-90-5
Synonyms
2-hydroxy-4- (trifluoromethyl) benzoic acid; 2-Hydroxy-4- (trifluoromethyl) benzoic Acid; ?, ?, ?-Trifluoro-2,4-cresotic Acid; 4- (Trifluoromethyl) salicylic Acid; 4-Trifluoromethyl-2-hydroxybenzoic Acid
Molecular Formula
C8H5F3O3
Molecular Weight
206.12
API Name
Triflusal

Chemical Information

2-Hydroxy-4-(trifluoromethyl)benzoic acid

2-Hydroxy-4-trifluoromethyl benzoic acid is a hydroxybenzoic acid. It is functionally related to a salicylic acid.

CAS Number328-90-5
PubChem CID164578
IUPAC Name2-hydroxy-4-(trifluoromethyl)benzoic acid
Molecular FormulaC8H5F3O3
Molecular Weight206.12
XLogP3.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity226
SMILES
C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)
InChIKey
XMLFPUBZFSJWCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-4-(trifluoromethyl)benzoic acid
CAS: 328-90-5
CID: 164578
Formula: C8H5F3O3
MW: 206.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.12
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass206.01907850
Monoisotopic Mass206.01907850
Topological Polar Surface Area57.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity226
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

Related Products

CatalogName
AR-T02999-01Triflusal
AR-T03000-01Triflusal-d3
AR-Z00981-01Desacetyl Cefathiamidine
AR-A02323-01Desacetyl Apremilast
AR-R01569-01Desacetyl Rifamycin
AR-P01063-01Desacetyl Polbociclib
AR-L07289-013-Desacetyl-Salannin
AR-T05674-01Trametinib Desacetyl Impurity
AR-R01547-0125-Desacetyl Rifampicin
AR-R01573-0125-Desacetyl Rifapentine

Alternative Products

CatalogName
FD21130-01Desacetyl triflusal
ESS0240-01Desacetyl Triflusal-13C6
B1461-10Triflusal

Popular Products