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Home> Hot Product Listed P   > Phenol,2,6-bis[[2-(acetyloxy)-5-methylphenyl]methyl]-4-chloro-, acetate (9CI)
107842-57-9 structure

Phenol,2,6-bis[[2-(acetyloxy)-5-methylphenyl]methyl]-4-chloro-, acetate (9CI)

Iupac Name:5-amino-1-(3-chlorophenyl)-3-methylpyrazole-4-carbonitrile
CAS No.:107842-57-9
Molecular Weight:232.671
Molecular Formula:C17H16N2O2 (isomer)
Names and Identifiers
Synonyms

[2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-ch [2-[[2-acetyloxy-3-[(2-acetyloxy-5-methylphenyl)methyl]-5-chlorophenyl]methyl]-4-methylphenyl] acetate 2,6-Xylenol,4-chloro-a,a'-bis(6-hydroxy-m-tolyl)-, triacetate (6CI) 2-{2-(acetyloxy)-3-[2-(acetyloxy)-5-methylbenzyl]-5-chlorobenzyl}-4-methylphenyl acetate AC1L66JV AC1Q3LS8 CTK5C4647 DTXSID00286887 NSC 48170 nsc48170 nsc-48170 OR096801 ZINC1679640

Inchi
InChI=1S/C11H9ClN4/c1-7-10(6-13)11(14)16(15-7)9-4-2-3-8(12)5-9/h2-5H,14H2,1H3
InChkey
TWLRGDZGFAVMSQ-UHFFFAOYSA-N
Canonical Smiles
CC1=NN(C(=C1C#N)N)C2=CC(=CC=C2)Cl
Properties
Density
1.39
Computational chemical data
  • Molecular Weight:232.671g/mol
  • Molecular Formula:C17H16N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:232.052
  • Monoisotopic Mass:232.052
  • Complexity:300
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67.6A^2
  • Heavy Atom Count:16
  • 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: AAADccBzgAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIYAAAADAqBHiAz8JJIAACy ByZiZACyBCMhBwAcmCAwZpiIoGLB09GEpAhwiALIyC8QAAAIAAAAAAIAAAAAAAAABAAAAAAAAAAA AA==
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