1-(4-arsanylphenyl)ethanone

C8H9AsO — CID 173138956

IUPAC1-(4-arsanylphenyl)ethanone
SMILESCC(=O)c1ccc([AsH2])cc1
InChIInChI=1S/C8H9AsO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChIKeyNPDWZMWFTBBZHB-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.15
Rot. Bonds1

About 1-(4-arsanylphenyl)ethanone

1-(4-arsanylphenyl)ethanone (PubChem CID 173138956) has the molecular formula C8H9AsO and a molecular weight of 196.08 g/mol. Its IUPAC name is 1-(4-arsanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-arsanylphenyl)ethanone
PubChem CID173138956
Molecular FormulaC8H9AsO
Molecular Weight196.08 g/mol
Exact Mass195.99
IUPAC Name1-(4-arsanylphenyl)ethanone
SMILESCC(=O)c1ccc([AsH2])cc1
InChIInChI=1S/C8H9AsO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChIKeyNPDWZMWFTBBZHB-UHFFFAOYSA-N
XLogP0.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-[4-(4-acetylphenyl)tellanylphenyl]ethanone
CID 15685304
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1-(4-dimethylsilylphenyl)ethanone
CID 124706896
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243

Frequently Asked Questions

What is the IUPAC name of 1-(4-arsanylphenyl)ethanone?
The IUPAC name of 1-(4-arsanylphenyl)ethanone (CID 173138956) is 1-(4-arsanylphenyl)ethanone.
What is the SMILES notation for 1-(4-arsanylphenyl)ethanone?
The canonical SMILES for 1-(4-arsanylphenyl)ethanone is CC(=O)c1ccc([AsH2])cc1.
What is the InChIKey of 1-(4-arsanylphenyl)ethanone?
The InChIKey is NPDWZMWFTBBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3.
What are the key properties of 1-(4-arsanylphenyl)ethanone?
1-(4-arsanylphenyl)ethanone has a molecular weight of 196.08 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-arsanylphenyl)ethanone is sourced from PubChem (CID 173138956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).