6-Bromo-4-hydroxy-3-nitroquinoline - ≥96% , CAS No.853908-50-6

CAS: 853908-50-6 Cat. No.: B124061 Peso molecular: 269.05 Número EC: 992-580-5

GRADE & PURITY ≥96%

Synonyms

6-bromo-3-nitro-1H-quinolin-4-one | A841316 | 6-bromo-3-nitro-quinolin-4-ol | 6-bromo-3-nitroquinolin-4-ol | J-803040 | AKOS005259541 | PB14737 | AM20061548 | DS-0915 | SCHEMBL17598434 | SY004114 | BCP06521 | EX-A1412 | FT-0687193 | Z1509662836 | 1429502-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

6-bromo-3-nitro-1H-quinolin-4-one | A841316 | 6-bromo-3-nitro-quinolin-4-ol | 6-bromo-3-nitroquinolin-4-ol | J-803040 | AKOS005259541 | PB14737 | AM20061548 | DS-0915 | SCHEMBL17598434 | SY004114 | BCP06521 | EX-A1412 | FT-0687193 | Z1509662836 | 1429502-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504770080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770080
• Sonrisas canónicas: C1=CC2=C(C=C1Br)C(=O)C(=CN2)[N+](=O)[O-]
• IUPAC Name: 6-bromo-3-nitro-1H-quinolin-4-one
• InChIKey: AMKJVYOALDEARM-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
• Isómeros SMILES: C1=CC2=C(C=C1Br)C(=O)C(=CN2)[N+](=O)[O-]
• Peso molecular: 269.05
• Reaxy-Rn: 40468829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40468829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Nitroquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: Haloquinolines Hydroquinolones Hydroquinolines Nitroaromatic compounds Pyridines and derivatives Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic salt - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 269.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 267.948 Da
• Monoisotopic Mass: 267.948 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 337.000
• 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