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Pyraclostrobin

CAT: 1299-RG-A260590-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260590-04Size:100 mg
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CAS Number
175013-18-0
Synonyms
Pyraclostrobin
Molecular Formula
C19H18ClN3O4
Molecular Weight
387.82
Target Alternative Name
Pyraclostrobin
Product Name Synonym
Pyraclostrobin

Chemical Information

Pyraclostrobin

Pyraclostrobin is a carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. It has a role as a xenobiotic, a mitochondrial cytochrome-bc1 complex inhibitor, an environmental contaminant and an antifungal agrochemical. It is a carbamate ester, a member of pyrazoles, an aromatic ether, a member of monochlorobenzenes, a methoxycarbanilate strobilurin antifungal agent and a carbanilate fungicide.

CAS Number175013-18-0
PubChem CID6422843
IUPAC Namemethyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
Molecular FormulaC19H18ClN3O4
Molecular Weight387.8
XLogP4.1
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity476
SMILES
COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
InChIKey
HZRSNVGNWUDEFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyraclostrobin
CAS: 175013-18-0
CID: 6422843
Formula: C19H18ClN3O4
MW: 387.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.8
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass387.0985838
Monoisotopic Mass387.0985838
Topological Polar Surface Area65.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity476
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

Alternative Products

CatalogName
BA1241-250Pyraclostrobin
TRC-P840402-10MGPyraclostrobin-d6
HY-N6626R-01Pyraclostrobin (Standard)
165730Anti Pyraclostrobin Pab
GTR19150914Pyraclostrobin-KLH conj.
GTR19150819Pyraclostrobin-BSA conj.
AR-P33227-01Pyraclostrobin Impurity 3
AR-P33226-01Pyraclostrobin Impurity 2
AR-P33229-01Pyraclostrobin Impurity 5

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