4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene

C12H7Cl2NO3 — CID 8659

IUPAC4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H
InChIKeyXEGBVDXTOVJCSJ-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene

4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene (PubChem CID 8659) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene
PubChem CID8659
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H
InChIKeyXEGBVDXTOVJCSJ-UHFFFAOYSA-N
XLogP4.69
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene?
The IUPAC name of 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene (CID 8659) is 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene?
The InChIKey is XEGBVDXTOVJCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H.
What are the key properties of 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene?
4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene has a molecular weight of 284.10 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene is sourced from PubChem (CID 8659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).