7-Bromo-4-methoxyquinoline - ≥97% , CAS No.1065092-89-8

CAS: 1065092-89-8 Cat. No.: B586292 Summenformel: C₁₀H₈BrNO Molekulargewicht: 238.08

GRADE & PURITY ≥97%

Synonyms

SB72057 | 1065092-89-8 | 7-bromo-4-methoxyquinoline | NBSFJOSQRAIZHB-UHFFFAOYSA-N | SCHEMBL3304514 | AMY1972 | BS-26289 | DTXSID90670377

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

SB72057 | 1065092-89-8 | 7-bromo-4-methoxyquinoline | NBSFJOSQRAIZHB-UHFFFAOYSA-N | SCHEMBL3304514 | AMY1972 | BS-26289 | DTXSID90670377

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508810237

Kanonisches Lächeln

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

IUPAC Name

7-bromo-4-methoxyquinoline

InChIKey

NBSFJOSQRAIZHB-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

Molekulargewicht

238.08

Reaxy-Rn

20069032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20069032&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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