4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol

C12H6Cl2N2O6 — CID 5284586

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IUPAC4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O
InChIInChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H
InChIKeyXULACPAEUUWKFX-UHFFFAOYSA-N
MW345.09 g/mol
LogP3.89
Rot. Bonds3

About 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol

4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol (PubChem CID 5284586) has the molecular formula C12H6Cl2N2O6 and a molecular weight of 345.09 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol
PubChem CID5284586
Molecular FormulaC12H6Cl2N2O6
Molecular Weight345.09 g/mol
Exact Mass343.96
IUPAC Name4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O
InChIInChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H
InChIKeyXULACPAEUUWKFX-UHFFFAOYSA-N
XLogP3.89
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.09
LogP ≤ 53.89
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol?
The IUPAC name of 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol (CID 5284586) is 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol?
The canonical SMILES for 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol?
The InChIKey is XULACPAEUUWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O6/c13-5-1-7(11(17)9(3-5)15(19)20)8-2-6(14)4-10(12(8)18)16(21)22/h1-4,17-18H.
What are the key properties of 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol?
4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol has a molecular weight of 345.09 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol is sourced from PubChem (CID 5284586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).