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Home> Hot Product Listed M   > MOLPORT-005-697-068
339370-40-0 structure

MOLPORT-005-697-068

Iupac Name:5-bromo-2-fluorobenzenesulfonyl chloride
CAS No.:339370-40-0
Molecular Weight:273.5
Molecular Formula:C10H12N4O (isomer)
Names and Identifiers
Synonyms

MCULE-2526724439 n-(3-cyanophenyl)-2-{[5-(4-fluorophenyl)-1h-imidazol-2-yl]sulfanyl}propanamide T6255550 Z92382311

Inchi
InChI=1S/C6H3BrClFO2S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3H
InChkey
LLDLTDWAHZBZIQ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1Br)S(=O)(=O)Cl)F
Computational chemical data
  • Molecular Weight:273.5g/mol
  • Molecular Formula:C10H12N4O
  • Compound Is Canonicalized:True
  • Exact Mass:271.871
  • Monoisotopic Mass:271.871
  • Complexity:251
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.5A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQBgMQBEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQRAAAABqACAUAgwAYAAAAKA ACBCAHBCAAAgAAQIiBgAAKgIICKAERCAIAAggAAIihcAAAAAAAAAAAgAAAAAAAAAEAAAAAAAAAAA AA==
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