(4-chlorophenyl)arsonic acid;oxozirconium

C6H6AsClO4Zr — CID 54605477

IUPAC(4-chlorophenyl)arsonic acid;oxozirconium
SMILESO=[As](O)(O)c1ccc(Cl)cc1.O=[Zr]
InChIInChI=1S/C6H6AsClO3.O.Zr/c8-6-3-1-5(2-4-6)7(9,10)11;;/h1-4H,(H2,9,10,11);;
InChIKeyGYZOWFVVBCPVHE-UHFFFAOYSA-N
MW343.71 g/mol
LogP-0.22
Rot. Bonds1

About (4-chlorophenyl)arsonic acid;oxozirconium

(4-chlorophenyl)arsonic acid;oxozirconium (PubChem CID 54605477) has the molecular formula C6H6AsClO4Zr and a molecular weight of 343.71 g/mol. Its IUPAC name is (4-chlorophenyl)arsonic acid;oxozirconium.

Molecular Properties

Compound Name(4-chlorophenyl)arsonic acid;oxozirconium
PubChem CID54605477
Molecular FormulaC6H6AsClO4Zr
Molecular Weight343.71 g/mol
Exact Mass341.82
IUPAC Name(4-chlorophenyl)arsonic acid;oxozirconium
SMILESO=[As](O)(O)c1ccc(Cl)cc1.O=[Zr]
InChIInChI=1S/C6H6AsClO3.O.Zr/c8-6-3-1-5(2-4-6)7(9,10)11;;/h1-4H,(H2,9,10,11);;
InChIKeyGYZOWFVVBCPVHE-UHFFFAOYSA-N
XLogP-0.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 5-0.22
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

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azane;1,4-dichlorobenzene
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CID 70381437
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4-chlorophenol
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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)arsonic acid;oxozirconium?
The IUPAC name of (4-chlorophenyl)arsonic acid;oxozirconium (CID 54605477) is (4-chlorophenyl)arsonic acid;oxozirconium.
What is the SMILES notation for (4-chlorophenyl)arsonic acid;oxozirconium?
The canonical SMILES for (4-chlorophenyl)arsonic acid;oxozirconium is O=[As](O)(O)c1ccc(Cl)cc1.O=[Zr].
What is the InChIKey of (4-chlorophenyl)arsonic acid;oxozirconium?
The InChIKey is GYZOWFVVBCPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsClO3.O.Zr/c8-6-3-1-5(2-4-6)7(9,10)11;;/h1-4H,(H2,9,10,11);;.
What are the key properties of (4-chlorophenyl)arsonic acid;oxozirconium?
(4-chlorophenyl)arsonic acid;oxozirconium has a molecular weight of 343.71 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)arsonic acid;oxozirconium is sourced from PubChem (CID 54605477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).