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CHEBI:19333 - 2,4,6-trichloroanisole

ChEBI IDCHEBI:19333
ChEBI Name2,4,6-trichloroanisole
Stars
DefinitionA monomethoxybenzene that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a methoxy group.
Last Modified15 March 2018
DownloadsMolfile
FormulaC7H5Cl3O
Net Charge0
Average Mass211.475
Monoisotopic Mass209.94060
SMILESCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyWCVOGSZTONGSQY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trichloroanisole (CHEBI:19333) is a monomethoxybenzene (CHEBI:25235)
2,4,6-trichloroanisole (CHEBI:19333) is a trichlorobenzene (CHEBI:27096)
IUPAC Name 
1,3,5-trichloro-2-methoxybenzene
Synonyms  Source
1,3,5-Trichloro-2-methoxybenzeneChemIDplus
Methyl 2,4,6-trichlorophenyl etherChemIDplus
TyreneNIST Chemistry WebBook
UniProt Name  Source
2,4,6-trichloroanisoleUniProt
Manual XrefsDatabases
C11510KEGG COMPOUND
Registry NumbersSources
CAS:87-40-1NIST Chemistry WebBook
CAS:87-40-1ChemIDplus