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2,4-Dichlorophenyl benzenesulphonate

CAT: 0572-TRC-C010365-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C010365-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97-16-5
Hazard Statement
Harmful if swallowed; UN number: UN2811; Packing Group: III
Smiles
Clc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1
Molecular Formula
C12 H8 Cl2 O3 S
Molecular Weight
303.16
InChI
InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H
Additionnal Information
IUPAC name: (2,4-dichlorophenyl) benzenesulfonate
Shipping Conditions
Room Temperature

Chemical Information

Genite

structure

CAS Number97-16-5
PubChem CID7327
IUPAC Name(2,4-dichlorophenyl) benzenesulfonate
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.2
XLogP4.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity360
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H
InChIKey
OZFAFGSSMRRTDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Genite
CAS: 97-16-5
CID: 7327
Formula: C12H8Cl2O3S
MW: 303.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.2
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass301.9571207
Monoisotopic Mass301.9571207
Topological Polar Surface Area51.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity360
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

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Alternative Products

CatalogName
OR55120-014-Formyl-1-methylpyridinium benzenesulphonate
PC112722,3,4,5,6-Pentafluorophenyl 4- (acetylamino) benzenesulphonate
PC103002,3,4,5,6-Pentafluorophenyl 2- (trifluoromethyl) benzenesulphonate
PC103102,3,4,5,6-Pentafluorophenyl 3- (trifluoromethyl) benzenesulphonate
PC103112,3,4,5,6-pentafluorophenyl 4- (tert-butyl) benzenesulphonate
PC103062,3,4,5,6-Pentafluorophenyl 4-[2-nitro-4- (trifluoromethyl) phenoxy]benzenesulphonate
OR21803Sodium 4-chloro-3-nitro-1-benzenesulphonate hydrate
BI9877Sodium 4-[3- (pyridin-2-yl) -6- (4-sulphophenyl) -1,2,4-triazin-5-yl]benzenesulphonate hydrate
OR14985-01Sodium benzenesulphonate
OR18427-01Propargyl benzenesulphonate

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