Ethychlozate - Moligand™, ≥95% , CAS No.27512-72-7

CAS: 27512-72-7 Cat. No.: E769782 分子式: C₁₁H₁₁ClN₂O₂ 分子量: 238.67 EC番号: 608-105-9 PubChem CID: 119653

GRADE & PURITY Moligand™, ≥95%

Synonyms

Ethyl 2-(5-chloro-1H-indazol-3-yl)acetate

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

概要

Ethychlozate is a plant growth regulator, and accelerates colouration and enhances fruit quality.

Specifications

同義語

Ethyl 2-(5-chloro-1H-indazol-3-yl)acetate

仕様と純度

Moligand™, ≥95%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥95%

名前と識別子

• パブケム・シド: 528770827
• カノニカル・スマイル: CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl
• IUPAC Name: ethyl 2-(5-chloro-2H-indazol-3-yl)acetate
• InChIKey: GLPZEHFBLBYFHN-UHFFFAOYSA-N
• INCHI: 1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)
• 異性体SMILES: CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl
• WGKドイツ: 3
• RTECS: NK7755000
• PubChem CID: 119653
• 分子量: 238.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Aryl chlorides Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• External Descriptors: Pesticides

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

化学的性質と物理的性質

• 分子量: 238.670 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 238.051 Da
• Monoisotopic Mass: 238.051 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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