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

C12H8Cl2N2O3 — CID 174492960

IUPAC3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-7-1-3-12(10(5-7)16(17)18)19-11-4-2-8(15)6-9(11)14/h1-6H,15H2
InChIKeyLOOOOADQRUHTTE-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.28
Rot. Bonds3

About 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline

3-chloro-4-(4-chloro-2-nitrophenoxy)aniline (PubChem CID 174492960) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
PubChem CID174492960
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
SMILESNc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-7-1-3-12(10(5-7)16(17)18)19-11-4-2-8(15)6-9(11)14/h1-6H,15H2
InChIKeyLOOOOADQRUHTTE-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

4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
(4-amino-2-nitrophenyl) hypochlorite
CID 172687565
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
4-(2-chlorophenoxy)aniline;3-nitro-4-phenoxyaniline
CID 157443998
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
3-(2,4-dichlorophenoxy)-4-nitro-1-oxidopyridin-1-ium
CID 11771054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline?
The IUPAC name of 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline (CID 174492960) is 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline.
What is the SMILES notation for 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline?
The canonical SMILES for 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline is Nc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline?
The InChIKey is LOOOOADQRUHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-7-1-3-12(10(5-7)16(17)18)19-11-4-2-8(15)6-9(11)14/h1-6H,15H2.
What are the key properties of 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline?
3-chloro-4-(4-chloro-2-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 3-chloro-4-(4-chloro-2-nitrophenoxy)aniline is sourced from PubChem (CID 174492960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).