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Dimethachlor CGA 369873

CAT: 0572-TRC-D465480-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D465480-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2387071-47-6
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Na+].Cc1cccc(C)c1NC(=O)CS(=O)(=O)[O-]
Molecular Formula
C10 H12 N O4 S . Na
Molecular Weight
265.26
InChI
InChI=1S/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;2-(2,6-dimethylanilino)-2-oxo-ethanesulfonate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dimethachlor CGA 369873
CAS Number2387071-47-6
PubChem CID155817547
IUPAC Namesodium 2-(2,6-dimethylanilino)-2-oxoethanesulfonate
Molecular FormulaC10H12NNaO4S
Molecular Weight265.26
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity342
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C10H13NO4S.Na/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15;/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKey
VAVGSERZRIIMLO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Dimethachlor CGA 369873
CAS: 2387071-47-6
CID: 155817547
Formula: C10H12NNaO4S
MW: 265.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass265.03847332
Monoisotopic Mass265.03847332
Topological Polar Surface Area94.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity342
Isotope Atom Count0
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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Alternative Products

CatalogName
447081-01Dimethachlor
HY-121423RDimethachlor (Standard)
HY-W720961Dimethachlor-d6
S-4282Dimethachlor - 1ML
CS-T-91185Dimethachlor Oxalic Acid
447084-01Dimethachlor Metabolite SYN 530561
447086-01Dimethachlor Oxalic Acid-d6
AR-D07128-01Dimethachlor Metabolite CGA 373464
447082-01Dimethachlor Ethane Sulfonic Acid Sodium Salt
447083-01Dimethachlor Ethane Sulfonic Acid Sodium Salt-d6

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