chempirical

2-(P-Methoxyphenyl)-4,6-bis(trichloromethyl)-S-triazine

C12H7Cl6N3OCAS 3584-23-4421.91 g/mol

Open in Covalent MOL file
ONClClClNClClClN
Alkyl halideEther

Properties

Molecular formula
C12H7Cl6N3O
Molar mass
421.91 g/mol
Exact mass
418.8720 Da
Melting point
144 °C
logP
5.20Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
3584-23-4
SMILES
COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1
InChIKey
QRHHZFRCJDAUNA-UHFFFAOYSA-N
InChI
InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,3,5-Triazine, 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-
  • s-Triazine, 2-(p-methoxyphenyl)-4,6-bis(trichloromethyl)-
  • 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
  • 2,6-Bis(trichloromethyl)-4-(4-methoxyphenyl)-1,3,5-triazine
  • XL 353
  • 2-(p-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
  • 2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-s-triazine
  • TAZ 104
  • 2,4-Bis(trichloromethyl)-6-(4-methoxyphenyl)-s-triazine
  • 2,4-Bis(Trichloromethyl)-6-(4-methoxyphenyl)-1,3,5-triazine
  • MP-Triazine
  • 2,4-Bis(trichloromethyl)-6-p-methoxyphenyl-s-triazine

Work with 2-(P-Methoxyphenyl)-4,6-bis(trichloromethyl)-S-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-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine42573-57-959 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-844 % similar 1,4-Dimethoxybenzene150-78-741 % similar 4-Methoxybiphenyl613-37-641 % similar Methoxychlor72-43-539 % similar 4-Methoxytrityl chloride14470-28-138 % similar 4,4′-Dimethoxytrityl chloride40615-36-938 % similar 4-Chloroanisole623-12-138 % similar

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

Elsewhere

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