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Sodium Tosylate-d7

CAT: 0572-TRC-S344165-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S344165-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116237-84-4
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c(c([2H])c([2H])c1C([2H])([2H])[2H])S(=O)(=O)O[Na]
Molecular Formula
C7 D7 Na O3 S
Molecular Weight
201.227
InChI
InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1/i1D3,2D,3D,4D,5D;
Additionnal Information
IUPAC name: [2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]sulfonyloxysodium
Shipping Conditions
Room Temperature

Chemical Information

Sodium Tosylate-d7
CAS Number116237-84-4
PubChem CID169446357
IUPAC Namesodium 2,3,5,6-tetradeuterio-4-(trideuteriomethyl)benzenesulfonate
Molecular FormulaC7H7NaO3S
Molecular Weight201.23
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity211
SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])S(=O)(=O)[O-])[2H].[Na+]
InChI
InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1/i1D3,2D,3D,4D,5D;
InChIKey
KVCGISUBCHHTDD-ANHTTWOXSA-M
Chemical Structure
2D Structure
2D structure of Sodium Tosylate-d7
CAS: 116237-84-4
CID: 169446357
Formula: C7H7NaO3S
MW: 201.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.23
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass201.04529676
Monoisotopic Mass201.04529676
Topological Polar Surface Area65.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity211
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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