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Home> Hot Product Listed M   > MOLPORT-020-142-247
1333151-73-7 structure

MOLPORT-020-142-247

Iupac Name:propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
CAS No.:1333151-73-7
Molecular Weight:355.317
Molecular Formula:C12H8CLN3O (isomer)
Names and Identifiers
Synonyms

5-methoxy-2-methyl-n-{2-[methyl(propan-2-yl)amino]ethyl}-1-benzofuran-3-carboxamide MCULE-9984781717 n-{2-[isopropyl(methyl)amino]ethyl}-5-methoxy-2-methyl-1-benzofuran-3-carboxamide Z1015725278 ZINC69537396

Inchi
InChI=1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4-
InChkey
NLNGWFLRRRYNIL-PLNGDYQASA-N
Canonical Smiles
CC(C)OC(=O)C=CN1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F
Computational chemical data
  • Molecular Weight:355.317g/mol
  • Molecular Formula:C12H8CLN3O
  • Compound Is Canonicalized:True
  • Exact Mass:355.114
  • Monoisotopic Mass:355.114
  • Complexity:485
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:66.2A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHwAIAAAADBThmxY3HoYIFACq AiL3bACSiAswoqAdyCAuDNiMLqKEuRuGMChsyBMIqMewwFAOAAADAAAAAAAAAAYAAAAAAAAAAAAA AA==
 
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