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

C12H6Cl2N2O5 — CID 57272170

IUPAC4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O5/c13-7-1-3-11(9(5-7)15(17)18)21-12-4-2-8(14)6-10(12)16(19)20/h1-6H
InChIKeyDERUIAYHKGUCJB-UHFFFAOYSA-N
MW329.10 g/mol
LogP4.60
Rot. Bonds4

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

4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene (PubChem CID 57272170) has the molecular formula C12H6Cl2N2O5 and a molecular weight of 329.10 g/mol. Its IUPAC name is 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
PubChem CID57272170
Molecular FormulaC12H6Cl2N2O5
Molecular Weight329.10 g/mol
Exact Mass327.97
IUPAC Name4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O5/c13-7-1-3-11(9(5-7)15(17)18)21-12-4-2-8(14)6-10(12)16(19)20/h1-6H
InChIKeyDERUIAYHKGUCJB-UHFFFAOYSA-N
XLogP4.60
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 54.60
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

3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
4-(4-chloro-2-nitrophenoxy)-3-fluorobenzonitrile
CID 43657467
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
CID 83235030
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
1-[5-bromo-2-(4-chloro-2-nitrophenoxy)phenyl]ethanone
CID 82955573
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
2-bromo-6-(4-chloro-2-nitrophenoxy)benzonitrile
CID 114881564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene?
The IUPAC name of 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene (CID 57272170) is 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene?
The InChIKey is DERUIAYHKGUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O5/c13-7-1-3-11(9(5-7)15(17)18)21-12-4-2-8(14)6-10(12)16(19)20/h1-6H.
What are the key properties of 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene?
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene has a molecular weight of 329.10 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene is sourced from PubChem (CID 57272170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).