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Cymoxanil

CAT: 0572-TRC-C988995-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C988995-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57966-95-7
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCNC(=O)NC(=O)\C(=N\OC)\C#N
Molecular Formula
C7 H10 N4 O3
Molecular Weight
198.18
InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
Additionnal Information
IUPAC name: (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cymoxanil

Cymoxanil is a member of the class of ureas that is urea in which the two nitrogen atoms are substituted by an ethyl group and a 2-cyano-2-(methoxyimino)acetyl group respectively. A fungicide used to control Peronosporales on a range of crops including vines, hops and potatoes. It has a role as a xenobiotic, an environmental contaminant and an antifungal agrochemical. It is a nitrile, an oxime O-ether, a member of ureas and an aliphatic nitrogen antifungal agent.

CAS Number57966-95-7
PubChem CID5364079
IUPAC Name(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
Molecular FormulaC7H10N4O3
Molecular Weight198.18
XLogP0.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity301
SMILES
CCNC(=O)NC(=O)/C(=N/OC)/C#N
InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
InChIKey
XERJKGMBORTKEO-VZUCSPMQSA-N
Chemical Structure
2D Structure
2D structure of Cymoxanil
CAS: 57966-95-7
CID: 5364079
Formula: C7H10N4O3
MW: 198.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.18
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass198.07529019
Monoisotopic Mass198.07529019
Topological Polar Surface Area104 Ų
Heavy Atom Count14
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B2067S-01Cymoxanil-d3
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