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Kresoxim-methyl

CAT: 0572-TRC-K659000-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K659000-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143390-89-0
Synonyms
Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (αE)-; Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-; BAS 490-02F; BAS 490F; Candit; Cygnus; Discus; Discus (fungicide); Ergon; Ergon (fungicide); Kresoxim-Me; Kresoxim-methyl; RIL-FA 200; Sovran; Strob 1; Stroby; Stroby DF; Stroby WG
Hazard Statement
Suspected of causing cancer; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CO\N=C(\C(=O)OC)/c1ccccc1COc2ccccc2C
Molecular Formula
C18 H19 N O4
Molecular Weight
313.35
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
Additionnal Information
IUPAC name: methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Kresoxim-Methyl

Kresoxim-methyl can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number143390-89-0
PubChem CID6112114
IUPAC Namemethyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
Molecular FormulaC18H19NO4
Molecular Weight313.3
XLogP4.1
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity410
SMILES
CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
InChIKey
ZOTBXTZVPHCKPN-HTXNQAPBSA-N
Chemical Structure
2D Structure
2D structure of Kresoxim-Methyl
CAS: 143390-89-0
CID: 6112114
Formula: C18H19NO4
MW: 313.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight313.3
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass313.13140809
Monoisotopic Mass313.13140809
Topological Polar Surface Area57.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity410
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