7-Bromoquinolin-2(1H)-one - ≥95% , CAS No.99465-10-8

CAS: 99465-10-8 Cat. No.: B590899 분자식: C₉H₆BrNO 분자량: 224.05 EC 번호: 894-659-9

등급 & 순도 ≥95%

Synonyms

7-bromo-1,2-dihydroquinolin-2-one | FS-3636 | FT-0751364 | 7-Bromo-1H-quinolin-2-one | SY022625 | EN300-112241 | AC-28309 | AMY7452 | MB07515 | SCHEMBL706857 | 7-Bromoquinolin-2(1H)-one

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

7-bromo-1,2-dihydroquinolin-2-one | FS-3636 | FT-0751364 | 7-Bromo-1H-quinolin-2-one | SY022625 | EN300-112241 | AC-28309 | AMY7452 | MB07515 | SCHEMBL706857 | 7-Bromoquinolin-2(1H)-one

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

정식 스마일

C1=CC(=CC2=C1C=CC(=O)N2)Br

IUPAC Name

7-bromo-1H-quinolin-2-one

InChIKey

QOFKBVYWLUKWLL-UHFFFAOYSA-N

INCHI

1S/C9H6BrNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)

이성체 SMILES

C1=CC(=CC2=C1C=CC(=O)N2)Br

분자량

224.05

Reaxy-Rn

6501334

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6501334&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 Pyridinones Benzenoids Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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

화학 및 물리적 특성

• 분자량: 224.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 222.963 Da
• Monoisotopic Mass: 222.963 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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