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Home> Hot Product Listed F   > F5882-4179
85187-45-7 structure

F5882-4179

CAS No.:85187-45-7
Molecular Weight:366.02164
Molecular Formula:C19H17N3O2S (isomer)
Names and Identifiers
Synonyms

AKOS024526823 MCULE-4918480469 MOLPORT-009-534-033 n-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)-5-phenylisoxazole-3-carboxamide n-[(1,1-dioxo-1lambda6-thiolan-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide Z319057634

Inchi
InChI=1/2C5H4N2O4.Fe/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
Canonical Smiles
C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Fe+2]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 85187-45-7 EC: F5882-4179 ·ECHA C&L Inventory for CAS: CAS: 85187-45-7 EC: F5882-4179
Computational chemical data
  • Molecular Weight:366.02164g/mol
  • Molecular Formula:C19H17N3O2S
  • Exact Mass:365.953505
  • Monoisotopic Mass:365.953505
  • Complexity:262
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:197
  • Heavy Atom Count:23
  • 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:3
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