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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,2-amino-8-fluoro-1,9-dihydro-
796990-95-9 structure

6H-Purin-6-one,2-amino-8-fluoro-1,9-dihydro-

Iupac Name:[2-(ethylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CAS No.:796990-95-9
Molecular Weight:210.233
Molecular Formula:C7H9N5O (isomer)
Names and Identifiers
Synonyms

6H-Purin-6-one,2-amino-8-fluoro-1,7-dihydro- (9CI) 8-Fluoroguanine Guanine, 8-fluoro- (8CI)

Inchi
InChI=1S/C10H14N2O3/c1-3-11-9(13)7-15-10(14)8-5-4-6-12(8)2/h4-6H,3,7H2,1-2H3,(H,11,13)
InChkey
GTBWITDMKKTWIN-UHFFFAOYSA-N
Canonical Smiles
CCNC(=O)COC(=O)C1=CC=CN1C
Properties
Flash Point
222.4°C
Computational chemical data
  • Molecular Weight:210.233g/mol
  • Molecular Formula:C7H9N5O
  • Compound Is Canonicalized:True
  • Exact Mass:210.1
  • Monoisotopic Mass:210.1
  • Complexity:243
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:15
  • 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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