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Home> Hot Product Listed A   > AKOS003615388
321-25-5 structure

AKOS003615388

Iupac Name:2-fluoro-N,N-dimethyl-4-phenyldiazenylaniline
CAS No.:321-25-5
Molecular Weight:243.279463
Molecular Formula:C12H15CLN4O4 (isomer)
Names and Identifiers
Synonyms

n-(5-(tert-butyl)-1,3,4-thiadiazol-2-yl)acetamide SCHEMBL9892978 ZINC59387033

Inchi
InChI=1/C14H14FN3/c1-18(2)14-9-8-12(10-13(14)15)17-16-11-6-4-3-5-7-11/h3-10H,1-2H3/b17-16+
Canonical Smiles
CN(C)C1=C(C=C(C=C1)N=NC2=CC=CC=C2)F
Properties
Refractive Index
1.556
Safety and Handling
Safety Statements
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx and F−.
Computational chemical data
  • Molecular Weight:243.279463g/mol
  • Molecular Formula:C12H15CLN4O4
  • Exact Mass:243.117176
  • Monoisotopic Mass:243.117176
  • Complexity:274
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:28
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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