Meperfluthrin - ≥95% , CAS No.915288-13-0

CAS: 915288-13-0 Cat. No.: M972317 EC 번호: 804-587-1 PubChem CID: 56841697

등급 & 순도 ≥95%

Storage

Room temperature

사양

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

정식 스마일

CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C=C(Cl)Cl)C

IUPAC Name

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

MWFQAAWRPDRKDG-KOLCDFICSA-N

INCHI

1S/C17H16Cl2F4O3/c1-17(2)9(4-10(18)19)11(17)16(24)26-6-8-14(22)12(20)7(5-25-3)13(21)15(8)23/h4,9,11H,5-6H2,1-3H3/t9-,11+/m1/s1

이성체 SMILES

CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C=C(Cl)Cl)C

대체 CAS

915288-13-0

PubChem CID

56841697

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Benzylethers Fluorobenzenes Cyclopropanecarboxylic acids and derivatives Aryl fluorides Ketene acetals Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Dialkyl ethers Chloroalkenes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Benzylether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Chloroalkene - Carboxylic acid derivative - Haloalkene - Vinyl halide - Dialkyl ether - Ether - Vinyl chloride - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organofluoride - Organic oxide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 분자량: 415.200 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 414.041 Da
• Monoisotopic Mass: 414.041 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1