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Home> Encyclopedia > Hot Product Listed 2   > 2,4(1H,3H)-Pyrimidinedione,5-fluoro-3-(tetrahydro-2-furanyl)-
874800-95-0 structure

2,4(1H,3H)-Pyrimidinedione,5-fluoro-3-(tetrahydro-2-furanyl)-

Iupac Name:1-(1-benzhydrylazetidin-3-yl)piperidine-4-carboxylic acid
CAS No.:874800-95-0
Molecular Weight:350.462
Molecular Formula:C10H10CL2N2O3S (isomer)
Names and Identifiers
Synonyms

3-(2-Tetrahydrofuryl)-5-fluorouracil 3-FT 5-fluoro-3-(oxolan-2-yl)-1h-pyrimidine-2,4-dione 5-fluoro-3-(tetrahydro-2-furanyl)-2,4(1h,3h)-pyrimidinedione 5-Fluoro-3-(tetrahydro-2-furanyl)-2,4-pyrimidinedione 5-fluoro-3-(tetrahydro-2-furanyl)uracil CHEMBL3272517 LS-158688 uracil, 5-fluoro-3-(tetrahydro-2-furyl)-

Inchi
InChI=1S/C22H26N2O2/c25-22(26)19-11-13-23(14-12-19)20-15-24(16-20)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21H,11-16H2,(H,25,26)
InChkey
XLTBXJDMKCQGPN-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1C(=O)O)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Properties
Boiling Point
404.4°C at 760 mmHg
Flash Point
137.2°C
Safety and Handling
Safety
Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and F−.
Computational chemical data
  • Molecular Weight:350.462g/mol
  • Molecular Formula:C10H10CL2N2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:350.199
  • Monoisotopic Mass:350.199
  • Complexity:439
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:43.8A^2
  • Heavy Atom Count:26
  • 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: AAADceB7MAAAAAAAAAAAAAAAAABYAAAAAAA8YIAAAAAAAAABQAAAHgAACAAADSjBmAQwCIMAAgCI AiDSCACCAAAgAAAIiAEIBIgIYDKAkRGUYAhkgACIiAc0gMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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