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Pyriminostrobin

CAT: 0926-HAC59843-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-HAC59843-02Size:100 mg
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CAS Number
1257598-43-8
Smiles
COC=C (C1=CC=CC=C1COC2=NC (=NC (=C2) C (F) (F) F) NC3=C (C=C (C=C3) Cl) Cl) C (=O) OC
Molecular Formula
C23H18Cl2F3N3O4
Molecular Weight
528.3 g/mol
Controlled
No

Chemical Information

Pyriminostrobin

Pyriminostrobin is a member of the class of pyrimidines that is pyrimidine which is substituted at positions 2, 4, and 6 by 2,4-dichloroanilino, trifluoromethyl, and {2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzyl}oxy groups, respectively. An acaricide used for the control of mites on citrus and cotton crops. It has a role as an acaricide. It is a dichlorobenzene, a methyl ester, an aromatic ether, an organofluorine compound, a member of pyrimidines, an enol ether, a substituted aniline and a secondary amino compound.

CAS Number1257598-43-8
PubChem CID68018336
IUPAC Namemethyl (E)-2-[2-[[2-(2,4-dichloroanilino)-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate
Molecular FormulaC23H18Cl2F3N3O4
Molecular Weight528.3
XLogP6.1
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity731
SMILES
CO/C=C(\C1=CC=CC=C1COC2=NC(=NC(=C2)C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl)/C(=O)OC
InChI
InChI=1S/C23H18Cl2F3N3O4/c1-33-12-16(21(32)34-2)15-6-4-3-5-13(15)11-35-20-10-19(23(26,27)28)30-22(31-20)29-18-8-7-14(24)9-17(18)25/h3-10,12H,11H2,1-2H3,(H,29,30,31)/b16-12+
InChIKey
YYXSCUSVVALMNW-FOWTUZBSSA-N
Chemical Structure
2D Structure
2D structure of Pyriminostrobin
CAS: 1257598-43-8
CID: 68018336
Formula: C23H18Cl2F3N3O4
MW: 528.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.3
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass527.0626459
Monoisotopic Mass527.0626459
Topological Polar Surface Area82.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity731
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

Alternative Products

CatalogName
TRC-P975340-250MGPyriminostrobin

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