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

C9H3Cl4N3O — CID 28995

IUPAC2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine
SMILESClc1ccc(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C9H3Cl4N3O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H
InChIKeyWQXUKGWCDJPEPX-UHFFFAOYSA-N
MW310.96 g/mol
LogP4.28
Rot. Bonds2

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

2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine (PubChem CID 28995) has the molecular formula C9H3Cl4N3O and a molecular weight of 310.96 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine
PubChem CID28995
Molecular FormulaC9H3Cl4N3O
Molecular Weight310.96 g/mol
Exact Mass308.90
IUPAC Name2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine
SMILESClc1ccc(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1
InChIInChI=1S/C9H3Cl4N3O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H
InChIKeyWQXUKGWCDJPEPX-UHFFFAOYSA-N
XLogP4.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.96
LogP ≤ 54.28
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-dichlorophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine (CID 28995) is 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine is Clc1ccc(Oc2nc(Cl)nc(Cl)n2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine?
The InChIKey is WQXUKGWCDJPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4N3O/c10-4-1-2-6(5(11)3-4)17-9-15-7(12)14-8(13)16-9/h1-3H.
What are the key properties of 2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(2,4-dichlorophenoxy)-1,3,5-triazine has a molecular weight of 310.96 g/mol, XLogP of 4.28, 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-dichlorophenoxy)-1,3,5-triazine is sourced from PubChem (CID 28995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).