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Home> Encyclopedia > Hot Product Listed 2   > 2H-Indazole,2-(3-fluorophenyl)-
876495-98-6 structure

2H-Indazole,2-(3-fluorophenyl)-

Iupac Name:7-acetyl-1,3-dimethyl-9H-purine-2,6,8-trione
CAS No.:876495-98-6
EINECS(EC#): 246-033-6
Molecular Weight:238.203
Molecular Formula:C15H26CLNO2 (isomer)
Names and Identifiers
Synonyms

2-(3-Fluorophenyl)-2H-indazole

Inchi
InChI=1S/C9H10N4O4/c1-4(14)13-5-6(10-8(13)16)11(2)9(17)12(3)7(5)15/h1-3H3,(H,10,16)
InChkey
RIODCZKSKWPCDQ-UHFFFAOYSA-N
Canonical Smiles
CC(=O)N1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
Properties
Density
1.294
Computational chemical data
  • Molecular Weight:238.203g/mol
  • Molecular Formula:C15H26CLNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.6
  • Exact Mass:238.07
  • Monoisotopic Mass:238.07
  • Complexity:495
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:90A^2
  • Heavy Atom Count:17
  • 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: AAADccBzuAAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAFgAAAAAHgAQAAAACAiBgAQDAAPAAACI AAVQUACAAAAAAAAAAACIAECAQAAAACAQAAAIByKAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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