1-chloro-2-nitro-3-(trichloromethoxy)benzene

C7H3Cl4NO3 — CID 23344175

IUPAC1-chloro-2-nitro-3-(trichloromethoxy)benzene
SMILESO=[N+]([O-])c1c(Cl)cccc1OC(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl4NO3/c8-4-2-1-3-5(6(4)12(13)14)15-7(9,10)11/h1-3H
InChIKeyYCFMAERJURIFJE-UHFFFAOYSA-N
MW290.92 g/mol
LogP3.95
Rot. Bonds2

About 1-chloro-2-nitro-3-(trichloromethoxy)benzene

1-chloro-2-nitro-3-(trichloromethoxy)benzene (PubChem CID 23344175) has the molecular formula C7H3Cl4NO3 and a molecular weight of 290.92 g/mol. Its IUPAC name is 1-chloro-2-nitro-3-(trichloromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-nitro-3-(trichloromethoxy)benzene
PubChem CID23344175
Molecular FormulaC7H3Cl4NO3
Molecular Weight290.92 g/mol
Exact Mass288.89
IUPAC Name1-chloro-2-nitro-3-(trichloromethoxy)benzene
SMILESO=[N+]([O-])c1c(Cl)cccc1OC(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl4NO3/c8-4-2-1-3-5(6(4)12(13)14)15-7(9,10)11/h1-3H
InChIKeyYCFMAERJURIFJE-UHFFFAOYSA-N
XLogP3.95
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.92
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

1-chloro-2-nitro-3-(2,2,2-trifluoroethoxy)benzene
CID 104835265
(3-chloro-2-nitrophenyl) dihydrogen phosphate
CID 67408002
1-chloro-3-(2-methylpropoxy)-2-nitrobenzene
CID 104835274
3-[(3-chloro-2-nitrophenoxy)methyl]pentan-3-amine
CID 113459400
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
3-(3-chloro-2-nitrophenoxy)pyridine
CID 104835355
1-chloro-3-(2-methylsulfanylphenoxy)-2-nitrobenzene
CID 113458813
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471
2-(3-chloro-2-nitrophenoxy)benzamide
CID 104835314
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
CID 104835444
1-[(2-bromophenyl)methoxy]-3-chloro-2-nitrobenzene
CID 104835460

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-nitro-3-(trichloromethoxy)benzene?
The IUPAC name of 1-chloro-2-nitro-3-(trichloromethoxy)benzene (CID 23344175) is 1-chloro-2-nitro-3-(trichloromethoxy)benzene.
What is the SMILES notation for 1-chloro-2-nitro-3-(trichloromethoxy)benzene?
The canonical SMILES for 1-chloro-2-nitro-3-(trichloromethoxy)benzene is O=[N+]([O-])c1c(Cl)cccc1OC(Cl)(Cl)Cl.
What is the InChIKey of 1-chloro-2-nitro-3-(trichloromethoxy)benzene?
The InChIKey is YCFMAERJURIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl4NO3/c8-4-2-1-3-5(6(4)12(13)14)15-7(9,10)11/h1-3H.
What are the key properties of 1-chloro-2-nitro-3-(trichloromethoxy)benzene?
1-chloro-2-nitro-3-(trichloromethoxy)benzene has a molecular weight of 290.92 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-nitro-3-(trichloromethoxy)benzene is sourced from PubChem (CID 23344175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).