Pyraoxystrobin , CAS No.862588-11-2

CAS: 862588-11-2 Cat. No.: P1227061 PubChem CID: 45380417

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Specifications

Condições de armazenamento de armazenamento

Room temperature

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Tipo de ação

INHIBITOR

Nomes e identificadores

• Sorrisos canónicos: CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3C(=COC)C(=O)OC
• IUPAC Name: methyl (E)-2-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate
• InChIKey: URXNNPCNKVAQRA-XMHGGMMESA-N
• INCHI: 1S/C22H21ClN2O4/c1-25-21(12-20(24-25)15-8-10-17(23)11-9-15)29-13-16-6-4-5-7-18(16)19(14-27-2)22(26)28-3/h4-12,14H,13H2,1-3H3/b19-14+
• SMILES isoméricas: CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3/C(=C\OC)/C(=O)OC
• CAS alternativo: 862588-11-2
• PubChem CID: 45380417
• Termos de entrada MeSH: 2-(2-((3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)-3-methoxyacrylate;pyraoxystrobin

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenyl-beta-methoxyacrylates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenyl-beta-methoxyacrylates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-beta-methoxyacrylates
• Alternative Parents: Phenylpyrazoles Styrenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous esters Enoate esters Heteroaromatic compounds Methyl esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-beta-methoxyacrylate - Phenylpyrazole - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenyl-beta-methoxyacrylates. These are aromatic compounds containing a methyl-3-methoxyacrylate moiety that carries a benzyl group at the C-alpha carbon.
• External Descriptors: pyrazoles - aromatic ether - methyl ester - monochlorobenzenes - enoate ester - enol ether - methoxyacrylate strobilurin antifungal agent

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Peso molecular: 412.900 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 412.119 Da
• Monoisotopic Mass: 412.119 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 862588-11-2. InChIKey URXNNPCNKVAQRA-XMHGGMMESA-N.

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