[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite

C8H9AsBrNO5 — CID 175320469

IUPAC[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite
SMILESCC(=O)Nc1cccc([As](=O)(OO)OBr)c1
InChIInChI=1S/C8H9AsBrNO5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12)
InChIKeyKPOXIDQFYNKDPK-UHFFFAOYSA-N
MW353.99 g/mol
LogP1.04
Rot. Bonds4

About [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite

[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite (PubChem CID 175320469) has the molecular formula C8H9AsBrNO5 and a molecular weight of 353.99 g/mol. Its IUPAC name is [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite.

Molecular Properties

Compound Name[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite
PubChem CID175320469
Molecular FormulaC8H9AsBrNO5
Molecular Weight353.99 g/mol
Exact Mass352.89
IUPAC Name[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite
SMILESCC(=O)Nc1cccc([As](=O)(OO)OBr)c1
InChIInChI=1S/C8H9AsBrNO5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12)
InChIKeyKPOXIDQFYNKDPK-UHFFFAOYSA-N
XLogP1.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[aminooxy(hydroperoxy)arsoryl]phenyl]acetamide
CID 174408278
[(3-acetamidophenyl)-hydroperoxyarsoryl] prop-2-ene-1-sulfonate
CID 174390256
(3-acetamidophenyl)-hydroperoxyarsinic acid;2,4,6-trimethylaniline
CID 174696638
(3-acetamidophenyl)-hydroperoxyarsinic acid;N-ethylaniline
CID 174596759
(3-acetamidophenyl)-hydroperoxyarsinic acid;1-fluoro-3-methylbenzene
CID 174756554
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethylbenzene
CID 174705794
N-(3-methylphenyl)acetamide
CID 10843
(3-acetamidophenyl)-hydroperoxyarsinic acid;methyl 4-acetyloxybenzoate
CID 174384601
(3-acetamidophenyl)-hydroperoxyarsinic acid;6-amino-1H-pyrimidine-2,4-dione
CID 174495207
[(4-acetamidophenyl)-hydroperoxyarsoryl] hypofluorite
CID 174927143
(3-acetamidophenyl)-hydroperoxyarsinic acid;1-(4-nitrophenyl)pyrrolidine
CID 174249619
(3-acetamidophenyl)-hydroperoxyarsinic acid;ethyl 4,4-dimethylpent-2-enoate
CID 174918413

Frequently Asked Questions

What is the IUPAC name of [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite?
The IUPAC name of [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite (CID 175320469) is [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite.
What is the SMILES notation for [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite?
The canonical SMILES for [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite is CC(=O)Nc1cccc([As](=O)(OO)OBr)c1.
What is the InChIKey of [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite?
The InChIKey is KPOXIDQFYNKDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsBrNO5/c1-6(12)11-8-4-2-3-7(5-8)9(13,15-10)16-14/h2-5,14H,1H3,(H,11,12).
What are the key properties of [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite?
[(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite has a molecular weight of 353.99 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-acetamidophenyl)-hydroperoxyarsoryl] hypobromite is sourced from PubChem (CID 175320469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).