[bromo(ethoxy)arsoryl]benzene

C8H10AsBrO2 — CID 71371820

IUPAC[bromo(ethoxy)arsoryl]benzene
SMILESCCO[As](=O)(Br)c1ccccc1
InChIInChI=1S/C8H10AsBrO2/c1-2-12-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKRXGUORUVLIAMA-UHFFFAOYSA-N
MW292.99 g/mol
LogP1.69
Rot. Bonds3

About [bromo(ethoxy)arsoryl]benzene

[bromo(ethoxy)arsoryl]benzene (PubChem CID 71371820) has the molecular formula C8H10AsBrO2 and a molecular weight of 292.99 g/mol. Its IUPAC name is [bromo(ethoxy)arsoryl]benzene.

Molecular Properties

Compound Name[bromo(ethoxy)arsoryl]benzene
PubChem CID71371820
Molecular FormulaC8H10AsBrO2
Molecular Weight292.99 g/mol
Exact Mass291.91
IUPAC Name[bromo(ethoxy)arsoryl]benzene
SMILESCCO[As](=O)(Br)c1ccccc1
InChIInChI=1S/C8H10AsBrO2/c1-2-12-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKRXGUORUVLIAMA-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.99
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 [bromo(ethoxy)arsoryl]benzene?
The IUPAC name of [bromo(ethoxy)arsoryl]benzene (CID 71371820) is [bromo(ethoxy)arsoryl]benzene.
What is the SMILES notation for [bromo(ethoxy)arsoryl]benzene?
The canonical SMILES for [bromo(ethoxy)arsoryl]benzene is CCO[As](=O)(Br)c1ccccc1.
What is the InChIKey of [bromo(ethoxy)arsoryl]benzene?
The InChIKey is KRXGUORUVLIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsBrO2/c1-2-12-9(10,11)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of [bromo(ethoxy)arsoryl]benzene?
[bromo(ethoxy)arsoryl]benzene has a molecular weight of 292.99 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(ethoxy)arsoryl]benzene is sourced from PubChem (CID 71371820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).