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

C9H3Cl3N4O3 — CID 62857419

IUPAC2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
SMILESO=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Cl)n2)cc1Cl
InChIInChI=1S/C9H3Cl3N4O3/c10-5-3-4(1-2-6(5)16(17)18)19-9-14-7(11)13-8(12)15-9/h1-3H
InChIKeyLHBVJKOCMVVJRV-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.53
Rot. Bonds3

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

2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine (PubChem CID 62857419) has the molecular formula C9H3Cl3N4O3 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
PubChem CID62857419
Molecular FormulaC9H3Cl3N4O3
Molecular Weight321.51 g/mol
Exact Mass319.93
IUPAC Name2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
SMILESO=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Cl)n2)cc1Cl
InChIInChI=1S/C9H3Cl3N4O3/c10-5-3-4(1-2-6(5)16(17)18)19-9-14-7(11)13-8(12)15-9/h1-3H
InChIKeyLHBVJKOCMVVJRV-UHFFFAOYSA-N
XLogP3.53
TPSA91.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.53
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-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
2,4-dichloro-6-(4-methyl-3-nitrophenoxy)-1,3,5-triazine
CID 114252491
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
4-bromo-2-(3-chloro-4-nitrophenoxy)-1,3-thiazole
CID 79398869
6-(3-chloro-4-nitrophenoxy)pyrazin-2-amine
CID 80647936
2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile
CID 62113771
6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458284

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine (CID 62857419) is 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine is O=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Cl)n2)cc1Cl.
What is the InChIKey of 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine?
The InChIKey is LHBVJKOCMVVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3N4O3/c10-5-3-4(1-2-6(5)16(17)18)19-9-14-7(11)13-8(12)15-9/h1-3H.
What are the key properties of 2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine has a molecular weight of 321.51 g/mol, XLogP of 3.53, 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-(3-chloro-4-nitrophenoxy)-1,3,5-triazine is sourced from PubChem (CID 62857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).