chempirical

2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

C14H9Cl6N3OCAS 42573-57-9447.95 g/mol

Open in Covalent MOL file
ONClClClNClClClN
AlkeneAlkyl halideEther

Properties

Molecular formula
C14H9Cl6N3O
Molar mass
447.95 g/mol
Exact mass
444.8877 Da
Melting point
191 °C
logP
5.70Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
42573-57-9
SMILES
COc1ccc(C=Cc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1
InChIKey
MCNPOZMLKGDJGP-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3

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Names and synonyms

17 names · show all
  • 1,3,5-Triazine, 2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-
  • 2-[2-(4-Methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
  • 2,4-Bis(trichloromethyl)-6-(p-methoxystyryl)-s-triazine
  • 2,4-Bis(trichloromethyl)-6-(4-methoxystyryl)-s-triazine
  • 2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-s-triazine
  • 2-(p-Methoxystyryl)-4,6-bis(trichloromethyl)-s-triazine
  • 2-(p-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
  • TAZ 100
  • TAZ 110
  • 2,4-Bis(trichloromethyl)-6-(4-methoxystyryl)-1,3,5-triazine
  • Triazine PMS
  • 2-(4-Methoxy-β-styryl)-4,6-bis(trichloromethyl)-s-triazine
  • TMS (photoinitiator)
  • TMS
  • TAZ-TMS
  • 2,4-(Trichloromethyl)-6-(4-methoxystyryl)-1,3,5-triazine
  • Chemcure PAG 4

Work with 2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(P-Methoxyphenyl)-4,6-bis(trichloromethyl)-S-triazine3584-23-459 % similar Resveratrol trimethyl ether22255-22-747 % similar Anethole104-46-146 % similar Anethole4180-23-846 % similar 4-Methoxycinnamonitrile28446-68-644 % similar 4-Methoxyresveratrol33626-08-343 % similar 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-041 % similar 4,4′-Dimethoxychalcone2373-89-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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