Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed N   > n-(4-methyl-1,3-thiazol-2-yl)-3,5-bis(2,2,2-trifluoroethoxy)benzamide
1384269-00-4 structure

n-(4-methyl-1,3-thiazol-2-yl)-3,5-bis(2,2,2-trifluoroethoxy)benzamide

Iupac Name:(3R)-3-(3,4-dichlorophenyl)pyrrolidine;hydrochloride
CAS No.:1384269-00-4
Molecular Weight:252.563
Molecular Formula:C21H15FN6O2 (isomer)
Names and Identifiers
Synonyms

MCULE-9676053642 MOLPORT-027-698-638 Z843441780 ZINC63688655

Inchi
InChI=1S/C10H11Cl2N.ClH/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8;/h1-2,5,8,13H,3-4,6H2;1H/t8-;/m0./s1
InChkey
CLEBEYWTFWLKQX-QRPNPIFTSA-N
Canonical Smiles
C1CNCC1C2=CC(=C(C=C2)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/mol
  • Molecular Formula:C21H15FN6O2
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:174
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHAIQAAAADQLBGCQwAILAAACA AiBCAAACAAAgBQAIisAIAogIICKBkxGEIAAgkACIiAcQgMAOhAAAIAAAAAQIAABAAAAACAAAAAAA AA==
 
<