4-Bromo-7-methoxyquinoline - ≥95% , CAS No.1070879-27-4

CAS: 1070879-27-4 Cat. No.: B586303 分子式: C₁₀H₈NOBr 分子量: 238.08 EC番号: 802-651-3

グレード＆純度 ≥95%

Synonyms

4-Bromo-7-methoxyquinoline, AldrichCPR | AS-46503 | 1070879-27-4 | CS1278 | DTXSID00615916 | A801576 | HSLGTRSMCWHZQH-UHFFFAOYSA-N | AC-31267 | SCHEMBL2996402 | AKOS016002933 | AMY5775 | SB71595 | Z1269133362 | FT-0645726 | MFCD08063187 | SY065547 | 4-Bro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

仕様

同義語

4-Bromo-7-methoxyquinoline, AldrichCPR | AS-46503 | 1070879-27-4 | CS1278 | DTXSID00615916 | A801576 | HSLGTRSMCWHZQH-UHFFFAOYSA-N | AC-31267 | SCHEMBL2996402 | AKOS016002933 | AMY5775 | SB71595 | Z1269133362 | FT-0645726 | MFCD08063187 | SY065547 | 4-Bro

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

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。

純度

≥95%

名前と識別子

パブケム・シド

508809612

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508809612

カノニカル・スマイル

COC1=CC2=NC=CC(=C2C=C1)Br

IUPAC Name

4-bromo-7-methoxyquinoline

InChIKey

HSLGTRSMCWHZQH-UHFFFAOYSA-N

INCHI

1S/C10H8BrNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3

異性体SMILES

COC1=CC2=NC=CC(=C2C=C1)Br

WGKドイツ

3

代替CAS番号

1070879-27-4

分子量

238.08

Reaxy-Rn

14312211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14312211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

化学的性質と物理的性質

• 分子量: 238.080 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.979 Da
• Monoisotopic Mass: 236.979 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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