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

CAS: 1201-08-7 Cat. No.: B166399 분자식: C₁₀H₈BrNO 분자량: 238.08 EC 번호: 802-660-2

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488191606

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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