2-(2,4-dinitrophenoxy)acetyl chloride

C8H5ClN2O6 — CID 15133534

IUPAC2-(2,4-dinitrophenoxy)acetyl chloride
SMILESO=C(Cl)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClN2O6/c9-8(12)4-17-7-2-1-5(10(13)14)3-6(7)11(15)16/h1-3H,4H2
InChIKeySUAUKJIXUYOKIA-UHFFFAOYSA-N
MW260.59 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,4-dinitrophenoxy)acetyl chloride

2-(2,4-dinitrophenoxy)acetyl chloride (PubChem CID 15133534) has the molecular formula C8H5ClN2O6 and a molecular weight of 260.59 g/mol. Its IUPAC name is 2-(2,4-dinitrophenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(2,4-dinitrophenoxy)acetyl chloride
PubChem CID15133534
Molecular FormulaC8H5ClN2O6
Molecular Weight260.59 g/mol
Exact Mass259.98
IUPAC Name2-(2,4-dinitrophenoxy)acetyl chloride
SMILESO=C(Cl)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClN2O6/c9-8(12)4-17-7-2-1-5(10(13)14)3-6(7)11(15)16/h1-3H,4H2
InChIKeySUAUKJIXUYOKIA-UHFFFAOYSA-N
XLogP1.65
TPSA112.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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

N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359401
1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,4-dinitrobenzene
CID 169253491
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083
cyclohexyl 2-(2,4-dinitrophenoxy)acetate
CID 23889686
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
(2,4-dinitrophenyl) 2-aminoacetate
CID 25182265
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
1-(4-bromobutoxy)-2,4-dinitrobenzene
CID 139648984
N-(2-cyanophenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359267
dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide
CID 87839607
1-dodecoxy-2,4-dinitrobenzene
CID 101149819

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenoxy)acetyl chloride?
The IUPAC name of 2-(2,4-dinitrophenoxy)acetyl chloride (CID 15133534) is 2-(2,4-dinitrophenoxy)acetyl chloride.
What is the SMILES notation for 2-(2,4-dinitrophenoxy)acetyl chloride?
The canonical SMILES for 2-(2,4-dinitrophenoxy)acetyl chloride is O=C(Cl)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitrophenoxy)acetyl chloride?
The InChIKey is SUAUKJIXUYOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O6/c9-8(12)4-17-7-2-1-5(10(13)14)3-6(7)11(15)16/h1-3H,4H2.
What are the key properties of 2-(2,4-dinitrophenoxy)acetyl chloride?
2-(2,4-dinitrophenoxy)acetyl chloride has a molecular weight of 260.59 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenoxy)acetyl chloride is sourced from PubChem (CID 15133534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).