4-chloro-2-(2-chloro-4-nitrophenoxy)aniline

C12H8Cl2N2O3 — CID 67390461

IUPAC4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
SMILESNc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c13-7-1-3-10(15)12(5-7)19-11-4-2-8(16(17)18)6-9(11)14/h1-6H,15H2
InChIKeyPMWVEWDKDVCZOW-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.28
Rot. Bonds3

About 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline

4-chloro-2-(2-chloro-4-nitrophenoxy)aniline (PubChem CID 67390461) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
PubChem CID67390461
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
SMILESNc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c13-7-1-3-10(15)12(5-7)19-11-4-2-8(16(17)18)6-9(11)14/h1-6H,15H2
InChIKeyPMWVEWDKDVCZOW-UHFFFAOYSA-N
XLogP4.28
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-chloro-1-[4-chloro-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 114847061
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
2-(4-bromo-2-chlorophenoxy)-5-nitroaniline
CID 62508136
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
1-(2-chloro-4-nitrophenoxy)-3-fluoro-2-nitrobenzene
CID 62665251
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline?
The IUPAC name of 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline (CID 67390461) is 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline.
What is the SMILES notation for 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline?
The canonical SMILES for 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline is Nc1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline?
The InChIKey is PMWVEWDKDVCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-7-1-3-10(15)12(5-7)19-11-4-2-8(16(17)18)6-9(11)14/h1-6H,15H2.
What are the key properties of 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline?
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline has a molecular weight of 299.11 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-4-nitrophenoxy)aniline is sourced from PubChem (CID 67390461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).