chempirical

2,4,6-Trichloroanisole

C7H5Cl3OCAS 87-40-1211.47 g/mol

Open in Covalent MOL file
OClClCl
Aryl halideEther

Properties

Molecular formula
C7H5Cl3O
Molar mass
211.47 g/mol
Exact mass
209.9406 Da
Melting point
61.5 °C
Boiling point
241 °C
logP
3.66Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
87-40-1
SMILES
COc1c(Cl)cc(Cl)cc1Cl
InChIKey
WCVOGSZTONGSQY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1,3,5-trichloro-2-methoxy-
  • Anisole, 2,4,6-trichloro-
  • 1,3,5-Trichloro-2-methoxybenzene
  • Tyrene
  • Methyl 2,4,6-trichlorophenyl ether
  • 1-Methoxy-2,4,6-trichlorobenzene
  • NSC 35142
  • 2-Methoxy-1,3,5-trichlorobenzene

Work with 2,4,6-Trichloroanisole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloroanisole1984-65-265 % similar 1,3-Dichloro-5-methoxybenzene33719-74-352 % similar 1-Chloro-3,5-dimethoxybenzene7051-16-352 % similar 1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-750 % similar Tcpo1165-91-948 % similar 1,4-Dichloro-2-methoxybenzene1984-58-348 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-648 % similar 1,2,3,5-Tetrachlorobenzene634-90-246 % similar

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

Same formula

2,3,4-Trichloroanisole54135-80-7

Elsewhere

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