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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxylicacid, 2-nitro-
321433-12-9 structure

5-Thiazolecarboxylicacid, 2-nitro-

Iupac Name:2-[2-(2,4-dichlorophenyl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CAS No.:321433-12-9
Molecular Weight:393.311
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/C23H18Cl2N2/c1-16-6-8-17(9-7-16)15-27-22-5-3-2-4-21(22)26-23(27)13-11-18-10-12-19(24)14-20(18)25/h2-14H,15H2,1H3
InChkey
JRVVBHMXOWTEBN-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C=CC4=C(C=C(C=C4)Cl)Cl
Properties
Density
0.831
Boiling Point
515.6°C at 760 mmHg
Flash Point
419.4°C
Computational chemical data
  • Molecular Weight:393.311g/mol
  • Molecular Formula:C13H15NO3
  • Compound Is Canonicalized:True
  • Exact Mass:392.085
  • Monoisotopic Mass:392.085
  • Complexity:503
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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