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

C9H2Cl4N4O3 — CID 107499610

IUPAC2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H2Cl4N4O3/c10-3-1-5(17(18)19)6(2-4(3)11)20-9-15-7(12)14-8(13)16-9/h1-2H
InChIKeyGPLWPVBOGJQOTK-UHFFFAOYSA-N
MW355.95 g/mol
LogP4.19
Rot. Bonds3

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

2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine (PubChem CID 107499610) has the molecular formula C9H2Cl4N4O3 and a molecular weight of 355.95 g/mol. Its IUPAC name is 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
PubChem CID107499610
Molecular FormulaC9H2Cl4N4O3
Molecular Weight355.95 g/mol
Exact Mass353.89
IUPAC Name2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H2Cl4N4O3/c10-3-1-5(17(18)19)6(2-4(3)11)20-9-15-7(12)14-8(13)16-9/h1-2H
InChIKeyGPLWPVBOGJQOTK-UHFFFAOYSA-N
XLogP4.19
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
CID 107501354
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-3-nitrobenzonitrile
CID 80872949

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine (CID 107499610) is 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine is O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine?
The InChIKey is GPLWPVBOGJQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl4N4O3/c10-3-1-5(17(18)19)6(2-4(3)11)20-9-15-7(12)14-8(13)16-9/h1-2H.
What are the key properties of 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine has a molecular weight of 355.95 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine is sourced from PubChem (CID 107499610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).