Products for Research Use Only
RegisterLogin

2- (Tosyloxy) benzoic acid

CAT: 0127-OR1061438-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1061438-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
82745-72-0
Purity
98%
Smiles
O=C(O)C1=CC=CC=C1OS(=O)(C2=CC=C(C)C=C2)=O

Chemical Information

2-(4-Methylphenyl)sulfonyloxybenzoic acid
CAS Number82745-72-0
PubChem CID253143
IUPAC Name2-(4-methylphenyl)sulfonyloxybenzoic acid
Molecular FormulaC14H12O5S
Molecular Weight292.31
XLogP2.9
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity431
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
DPDKNUJZTCXXLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)sulfonyloxybenzoic acid
CAS: 82745-72-0
CID: 253143
Formula: C14H12O5S
MW: 292.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.31
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass292.04054465
Monoisotopic Mass292.04054465
Topological Polar Surface Area89.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity431
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
OR1041055-01(R) -2- (Tosyloxy) propanoic acid
OR1044011-012- (Cyclohexylamino) benzoic acid
OR10801862- (cyclobutylmethoxy) benzoic acid
OR1066604-012- (Chlorosulfonyl) benzoic acid
OR1064929-012- (Nicotinamido) benzoic acid
OR908021-012- (Isopropylsulfanyl) benzoic acid
PC3432-012- (Difluoromethoxy) benzoic acid
OR16987-012- (Bromomethyl) benzoic acid
OR73212-012- (Diphenylphosphino) benzoic acid
OR254792- (Methylthio) benzoic acid

Alternative Products

CatalogName
SM9072-25mgBenzoic acid

Popular Products