2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine

C9H2Cl5N3O — CID 143041906

IUPAC2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine
SMILESClc1cc(Cl)c(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C9H2Cl5N3O/c10-3-1-4(11)6(5(12)2-3)18-9-16-7(13)15-8(14)17-9/h1-2H
InChIKeyRMWRJRWLKUDLPM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.93
Rot. Bonds2

About 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine

2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine (PubChem CID 143041906) has the molecular formula C9H2Cl5N3O and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine
PubChem CID143041906
Molecular FormulaC9H2Cl5N3O
Molecular Weight345.40 g/mol
Exact Mass342.86
IUPAC Name2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine
SMILESClc1cc(Cl)c(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C9H2Cl5N3O/c10-3-1-4(11)6(5(12)2-3)18-9-16-7(13)15-8(14)17-9/h1-2H
InChIKeyRMWRJRWLKUDLPM-UHFFFAOYSA-N
XLogP4.93
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine (CID 143041906) is 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine is Clc1cc(Cl)c(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine?
The InChIKey is RMWRJRWLKUDLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl5N3O/c10-3-1-4(11)6(5(12)2-3)18-9-16-7(13)15-8(14)17-9/h1-2H.
What are the key properties of 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine has a molecular weight of 345.40 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazine is sourced from PubChem (CID 143041906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).