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Home> Hot Product Listed A   > AKOS009622805
28213-80-1 structure

AKOS009622805

CAS No.:28213-80-1
Molecular Weight:106.165
Molecular Formula:C20H27N3O4 (isomer)
Names and Identifiers
Synonyms

4-[(2,5-difluorobenzenesulfonyl)methyl]benzonitrile MCULE-7355764348 MOLPORT-020-114-357 Z432560524 ZINC47637801

Inchi
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Canonical Smiles
CCC1=CC=CC=C1
Properties
Melting Point
-94.9 deg C
Computational chemical data
  • Molecular Weight:106.165g/mol
  • Molecular Formula:C20H27N3O4
  • XLogP3-AA:3.1
  • Exact Mass:106.07825
  • Monoisotopic Mass:106.07825
  • Complexity:51.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:8
  • 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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