(4-chlorophenoxy)arsonic acid

C6H6AsClO4 — CID 141291659

IUPAC(4-chlorophenoxy)arsonic acid
SMILESO=[As](O)(O)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H6AsClO4/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyAPHZGPOOKQEWBQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP0.57
Rot. Bonds2

About (4-chlorophenoxy)arsonic acid

(4-chlorophenoxy)arsonic acid (PubChem CID 141291659) has the molecular formula C6H6AsClO4 and a molecular weight of 252.49 g/mol. Its IUPAC name is (4-chlorophenoxy)arsonic acid.

Molecular Properties

Compound Name(4-chlorophenoxy)arsonic acid
PubChem CID141291659
Molecular FormulaC6H6AsClO4
Molecular Weight252.49 g/mol
Exact Mass251.92
IUPAC Name(4-chlorophenoxy)arsonic acid
SMILESO=[As](O)(O)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H6AsClO4/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H,(H2,9,10,11)
InChIKeyAPHZGPOOKQEWBQ-UHFFFAOYSA-N
XLogP0.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.49
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(4-chlorophenyl)arsonic acid;oxozirconium
CID 54605477
(4-chlorophenyl) acetate
CID 13410
[4-(4-chlorophenyl)phenyl] propaneperoxoate
CID 18544343
bis(4-chlorophenyl) sulfate
CID 57162501
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
bis(4-chlorophenoxy)methanimine
CID 15716338
(4-chlorophenoxy)sulfonyl carbonochloridate
CID 175267114
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 88814973

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)arsonic acid?
The IUPAC name of (4-chlorophenoxy)arsonic acid (CID 141291659) is (4-chlorophenoxy)arsonic acid.
What is the SMILES notation for (4-chlorophenoxy)arsonic acid?
The canonical SMILES for (4-chlorophenoxy)arsonic acid is O=[As](O)(O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)arsonic acid?
The InChIKey is APHZGPOOKQEWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsClO4/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H,(H2,9,10,11).
What are the key properties of (4-chlorophenoxy)arsonic acid?
(4-chlorophenoxy)arsonic acid has a molecular weight of 252.49 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)arsonic acid is sourced from PubChem (CID 141291659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).