1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene

C12H4Cl4N2O5 — CID 57162217

IUPAC1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C12H4Cl4N2O5/c13-5-3-11(7(15)1-9(5)17(19)20)23-12-4-6(14)10(18(21)22)2-8(12)16/h1-4H
InChIKeyGGVROISYJKXGIX-UHFFFAOYSA-N
MW397.99 g/mol
LogP5.91
Rot. Bonds4

About 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene

1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene (PubChem CID 57162217) has the molecular formula C12H4Cl4N2O5 and a molecular weight of 397.99 g/mol. Its IUPAC name is 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
PubChem CID57162217
Molecular FormulaC12H4Cl4N2O5
Molecular Weight397.99 g/mol
Exact Mass395.89
IUPAC Name1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C12H4Cl4N2O5/c13-5-3-11(7(15)1-9(5)17(19)20)23-12-4-6(14)10(18(21)22)2-8(12)16/h1-4H
InChIKeyGGVROISYJKXGIX-UHFFFAOYSA-N
XLogP5.91
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.99
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2,5-dichloro-4-nitrophenoxy)-trimethylsilane
CID 167719977
1,4-dichloro-2-nitro-5-(1,1,2,2,2-pentafluoroethoxy)benzene
CID 23052546
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
1-bromo-4-chloro-2-methoxy-5-nitrobenzene
CID 126419830
1-[4-(bromomethyl)-2-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500407
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
1-[2-(bromomethyl)-3-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500351
1-chloro-2-(2,4-dinitrophenoxy)-4-methylbenzene
CID 9111258

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene?
The IUPAC name of 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene (CID 57162217) is 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene.
What is the SMILES notation for 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene?
The canonical SMILES for 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene is O=[N+]([O-])c1cc(Cl)c(Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl.
What is the InChIKey of 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene?
The InChIKey is GGVROISYJKXGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4N2O5/c13-5-3-11(7(15)1-9(5)17(19)20)23-12-4-6(14)10(18(21)22)2-8(12)16/h1-4H.
What are the key properties of 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene?
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene has a molecular weight of 397.99 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene is sourced from PubChem (CID 57162217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).