8-Bromo-4-hydroxy-2-methylquinoline - ≥98% , CAS No.1201-08-7

CAS: 1201-08-7 Cat. No.: B166399 分子式: C₁₀H₈BrNO 分子量: 238.08 EC番号: 802-660-2

グレード＆純度 ≥98%

Synonyms

HMS3317B19 | 8-Bromo-4-hydroxy-2-methylquinoline | BS-20058 | 8-bromo-2-methyl-1H-quinolin-4-one | 8-bromo-2-methyl-4-quinolinol | 8-Bromo-4-hydroxy-2-methylquinoline, AldrichCPR | SY227094 | SCHEMBL15366703 | STK018133 | BAA20108 | SCHEMBL5249809 | D9729

Storage

Room temperature

Shipped In

Normal

仕様

同義語

HMS3317B19 | 8-Bromo-4-hydroxy-2-methylquinoline | BS-20058 | 8-bromo-2-methyl-1H-quinolin-4-one | 8-bromo-2-methyl-4-quinolinol | 8-Bromo-4-hydroxy-2-methylquinoline, AldrichCPR | SY227094 | SCHEMBL15366703 | STK018133 | BAA20108 | SCHEMBL5249809 | D9729

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488191606

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191606

カノニカル・スマイル

CC1=CC(=O)C2=C(N1)C(=CC=C2)Br

IUPAC Name

8-bromo-2-methyl-1H-quinolin-4-one

InChIKey

VZEQVJZHDYRCBZ-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CC1=CC(=O)C2=C(N1)C(=CC=C2)Br

WGKドイツ

3

分子量

238.08

Reaxy-Rn

24079008

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24079008&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Haloquinolines Hydroquinolines Methylpyridines Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Haloquinoline - Dihydroquinoline - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 238.080 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.979 Da
• Monoisotopic Mass: 236.979 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• 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