CID 166060529

C2H3AsClO2 — CID 166060529

IUPAC—
SMILESO=C(CO)[As]Cl
InChIInChI=1S/C2H3AsClO2/c4-3-2(6)1-5/h5H,1H2
InChIKeyKRNIHZOOFXWCOU-UHFFFAOYSA-N
MW169.42 g/mol
LogP-0.64
Rot. Bonds2

About CID 166060529

CID 166060529 (PubChem CID 166060529) has the molecular formula C2H3AsClO2 and a molecular weight of 169.42 g/mol.

Molecular Properties

Compound NameCID 166060529
PubChem CID166060529
Molecular FormulaC2H3AsClO2
Molecular Weight169.42 g/mol
Exact Mass168.90
IUPAC Name—
SMILESO=C(CO)[As]Cl
InChIInChI=1S/C2H3AsClO2/c4-3-2(6)1-5/h5H,1H2
InChIKeyKRNIHZOOFXWCOU-UHFFFAOYSA-N
XLogP-0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 166060529?
The IUPAC name of CID 166060529 (CID 166060529) is not available.
What is the SMILES notation for CID 166060529?
The canonical SMILES for CID 166060529 is O=C(CO)[As]Cl.
What is the InChIKey of CID 166060529?
The InChIKey is KRNIHZOOFXWCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3AsClO2/c4-3-2(6)1-5/h5H,1H2.
What are the key properties of CID 166060529?
CID 166060529 has a molecular weight of 169.42 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166060529 is sourced from PubChem (CID 166060529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).