7-Bromo-3-nitroquinolin-4-amine - ≥95% , CAS No.1232149-36-8

CAS: 1232149-36-8 Cat. No.: B1333283 Peso molecular: 268.07 Número EC: 960-408-8 PubChem CID: 91619940

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C(=CN=C2C=C1Br)[N+](=O)[O-])N
• IUPAC Name: 7-bromo-3-nitroquinolin-4-amine
• InChIKey: RCSVAMYXGYIYHC-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrN3O2/c10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15/h1-4H,(H2,11,12)
• Isómeros SMILES: C1=CC2=C(C(=CN=C2C=C1Br)[N+](=O)[O-])N
• PubChem CID: 91619940
• Peso molecular: 268.07

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: 4-aminoquinolines Haloquinolines Nitroaromatic compounds Aminopyridines and derivatives Aryl bromides Benzenoids Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organobromides Primary amines Organic salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Nitroaromatic compound - Aminopyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Primary amine - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic zwitterion - Organic salt - 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: 268.070 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 266.964 Da
• Monoisotopic Mass: 266.964 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 258.000
• 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