2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene

C12H6Cl3NO3 — CID 2726875

IUPAC2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl3NO3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H
InChIKeySDEVFRSHCRPEJZ-UHFFFAOYSA-N
MW318.54 g/mol
LogP5.35
Rot. Bonds3

About 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene

2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene (PubChem CID 2726875) has the molecular formula C12H6Cl3NO3 and a molecular weight of 318.54 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
PubChem CID2726875
Molecular FormulaC12H6Cl3NO3
Molecular Weight318.54 g/mol
Exact Mass316.94
IUPAC Name2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl3NO3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H
InChIKeySDEVFRSHCRPEJZ-UHFFFAOYSA-N
XLogP5.35
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 55.35
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

4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
2-chloro-1-(2-chloro-4-nitrophenoxy)-4-isocyanatobenzene
CID 21483257
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene?
The IUPAC name of 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene (CID 2726875) is 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene.
What is the SMILES notation for 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene?
The canonical SMILES for 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene?
The InChIKey is SDEVFRSHCRPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO3/c13-7-1-3-11(9(14)5-7)19-12-4-2-8(16(17)18)6-10(12)15/h1-6H.
What are the key properties of 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene?
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene has a molecular weight of 318.54 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene is sourced from PubChem (CID 2726875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).