Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 3   > 3,4-dimethyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}-4h-1,2,4-triazole
632327-19-6 structure

3,4-dimethyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl}-4h-1,2,4-triazole

Iupac Name:methyl 3-(3-chlorophenyl)-3-oxopropanoate
CAS No.:632327-19-6
Molecular Weight:212.629
Molecular Formula:C21H24N4O3 (isomer)
Names and Identifiers
Synonyms

MCULE-4199105439 MOLPORT-028-835-164 Z647035744

Inchi
InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChkey
MDZSDWBDIPJXKR-UHFFFAOYSA-N
Canonical Smiles
COC(=O)CC(=O)C1=CC(=CC=C1)Cl
Computational chemical data
  • Molecular Weight:212.629g/mol
  • Molecular Formula:C21H24N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:212.024
  • Monoisotopic Mass:212.024
  • Complexity:227
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:14
  • 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: AAADccBwMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAADAaAmCIyCIAABACI AqDSCAACAAAkBQAIiAEAAsgIIDaJFxCAIQAkoAAIiYeIyKCOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86465881,86-571-87157530,86-571-88025800
  • Fax:
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86465881,86-571-87157530,86-571-88025800
  • Fax:
 
<