4-chloro-2-(2-chloroethoxy)-6-nitroaniline

C8H8Cl2N2O3 — CID 11357167

IUPAC4-chloro-2-(2-chloroethoxy)-6-nitroaniline
SMILESNc1c(OCCCl)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8Cl2N2O3/c9-1-2-15-7-4-5(10)3-6(8(7)11)12(13)14/h3-4H,1-2,11H2
InChIKeyGWZZYOKPBFOZIJ-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.45
Rot. Bonds4

About 4-chloro-2-(2-chloroethoxy)-6-nitroaniline

4-chloro-2-(2-chloroethoxy)-6-nitroaniline (PubChem CID 11357167) has the molecular formula C8H8Cl2N2O3 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethoxy)-6-nitroaniline.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethoxy)-6-nitroaniline
PubChem CID11357167
Molecular FormulaC8H8Cl2N2O3
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-chloro-2-(2-chloroethoxy)-6-nitroaniline
SMILESNc1c(OCCCl)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8Cl2N2O3/c9-1-2-15-7-4-5(10)3-6(8(7)11)12(13)14/h3-4H,1-2,11H2
InChIKeyGWZZYOKPBFOZIJ-UHFFFAOYSA-N
XLogP2.45
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-2-[2-[(4-chlorophenyl)methylamino]ethoxy]-6-nitroaniline
CID 23291456
2-[(2-amino-5-chloro-3-nitrophenoxy)methyl]cyclohexan-1-ol
CID 142454252
4-chloro-2-(4-chlorobut-1-enyl)-6-nitroaniline
CID 170499727
N-[2-(2-amino-5-chloro-3-nitrophenoxy)ethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 18691483
ethyl 2-amino-5-chloro-3-nitrobenzoate
CID 151233060
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
2-amino-3,5-dinitrophenol;2-(2-methoxyethoxy)-4,6-dinitroaniline
CID 161328299
4-(2-amino-5-chloro-3-nitrophenyl)but-3-enal
CID 170482446
1-(3-chloropropoxy)-2,5-difluoro-4-nitrobenzene
CID 63599005
4-nitro-2,6-dipropoxyaniline
CID 54333696
4-chloro-2,6-dinitrophenolate
CID 36690453

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethoxy)-6-nitroaniline?
The IUPAC name of 4-chloro-2-(2-chloroethoxy)-6-nitroaniline (CID 11357167) is 4-chloro-2-(2-chloroethoxy)-6-nitroaniline.
What is the SMILES notation for 4-chloro-2-(2-chloroethoxy)-6-nitroaniline?
The canonical SMILES for 4-chloro-2-(2-chloroethoxy)-6-nitroaniline is Nc1c(OCCCl)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-(2-chloroethoxy)-6-nitroaniline?
The InChIKey is GWZZYOKPBFOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3/c9-1-2-15-7-4-5(10)3-6(8(7)11)12(13)14/h3-4H,1-2,11H2.
What are the key properties of 4-chloro-2-(2-chloroethoxy)-6-nitroaniline?
4-chloro-2-(2-chloroethoxy)-6-nitroaniline has a molecular weight of 251.07 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethoxy)-6-nitroaniline is sourced from PubChem (CID 11357167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).