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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxylicacid, 2-nitro-
861417-55-2 structure

5-Thiazolecarboxylicacid, 2-nitro-

Iupac Name:5-chloro-7-(2-chloropyridin-4-yl)imidazo[1,2-c]pyrimidine
CAS No.:861417-55-2
Molecular Weight:265.097
Molecular Formula:C13H15NO3 (isomer)
Names and Identifiers
Synonyms

2-nitro-1,3-thiazole-5-carboxylic acid 2-Nitro-5-thiazolecarboxylicacid 2-nitrothiazole-5-carboxylic acid 5-thiazolecarboxylic acid, 2-nitro- AC1L78BN AKOS030557277 CTK1H4190 DTXSID00317867 HE272484 NSC 321249 nsc-321249

Inchi
InChI=1S/C11H6Cl2N4/c12-9-5-7(1-2-14-9)8-6-10-15-3-4-17(10)11(13)16-8/h1-6H
InChkey
XVXJVHGOGUUFCV-UHFFFAOYSA-N
Canonical Smiles
C1=CN=C(C=C1C2=CC3=NC=CN3C(=N2)Cl)Cl
Properties
Density
0.831
Boiling Point
515.6°C at 760 mmHg
Flash Point
419.4°C
Computational chemical data
  • Molecular Weight:265.097g/mol
  • Molecular Formula:C13H15NO3
  • Compound Is Canonicalized:True
  • Exact Mass:263.997
  • Monoisotopic Mass:263.997
  • Complexity:278
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.1A^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: AAADcYBzgAAGAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB+AAAHAIAAAAADArBHyQ9sJ8MGACg AzZnZACCgC0xF6AJ2CA4dpiIaOLB29GUJAhogALIyCcQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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