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Home> Hot Product Listed F   > F5033-5140
1206679-17-5 structure

F5033-5140

Iupac Name:2-chloro-4-(1H-pyrazol-4-yl)pyrimidine
CAS No.:1206679-17-5
Molecular Weight:180.595
Molecular Formula:C17H19N3O4 (isomer)
Names and Identifiers
Synonyms

AKOS024492315 MCULE-5024408045 MOLPORT-019-829-094 n-((1-(benzofuran-2-carbonyl)piperidin-4-yl)methyl)-4-methylthiophene-2-carboxamide VU0631501-1 ZINC43989850

Inchi
InChI=1S/C7H5ClN4/c8-7-9-2-1-6(12-7)5-3-10-11-4-5/h1-4H,(H,10,11)
InChkey
ZOVWDSGUKDHRBV-UHFFFAOYSA-N
Canonical Smiles
C1=CN=C(N=C1C2=CNN=C2)Cl
Computational chemical data
  • Molecular Weight:180.595g/mol
  • Molecular Formula:C17H19N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:180.02
  • Monoisotopic Mass:180.02
  • Complexity:154
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.5A^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: AAADcYBjgAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHAIYAAAADAjBHgQ9kJZrEACi AzRnZACShCkxgqAZ+aA4ZJiIKKLA2cGEpAhoiAJIyCYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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