N-{6-chloroimidazo[1,2-b]pyridazin-2-yl}-2,2,2-trifluoroacetamide - ≥97% , CAS No.947248-50-2

CAS: 947248-50-2 Cat. No.: N178444 Molecular Weight: 264.59

GRADE & PURITY ≥97%

Synonyms

2,2,2-Trifluoro-N-(6-chloroimidazo-[1,2-b]pyridazin-2-yl)acetamide | 2,2,2-TRIFLUORO-N-(6-CHLOROIMIDAZO[1,2-B]PYRIDAZIN-2-YL)ACETAMIDE | MFCD21642045 | XMB24850 | DTXSID901166802 | N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide | N-(6-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2, 2-Trifluoro-N-(6-chloroimidazo-[1, 2-b]pyridazin-2-yl)acetamide | 2, 2, 2-TRIFLUORO-N-(6-CHLOROIMIDAZO[1, 2-B]PYRIDAZIN-2-YL)ACETAMIDE | MFCD21642045 | XMB24850 | DTXSID901166802 | N-(6-chloroimidazo[1, 2-b]pyridazin-2-yl)-2, 2, 2-trifluoroacetamide | N-(6-c

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=NN2C1=NC(=C2)NC(=O)C(F)(F)F)Cl
• IUPAC Name: N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide
• InChIKey: QIQOLQVNKVXLHR-UHFFFAOYSA-N
• INCHI: 1S/C8H4ClF3N4O/c9-4-1-2-6-13-5(3-16(6)15-4)14-7(17)8(10,11)12/h1-3H,(H,14,17)
• Isomeric SMILES: C1=CC(=NN2C1=NC(=C2)NC(=O)C(F)(F)F)Cl
• Molecular Weight: 264.59
• Reaxy-Rn: 19185739
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19185739&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Pyridazines and derivatives N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylamide - Aryl chloride - Aryl halide - Imidolactam - Pyridazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl 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

Chemical and Physical Properties

• Molecular Weight: 264.590 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 264.003 Da
• Monoisotopic Mass: 264.003 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 314.000
• 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