(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid

C14H16AsBClNO7 — CID 174686253

IUPAC(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C8H10AsNO5.C6H6BClO2/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;8-6-3-1-2-5(4-6)7(9)10/h2-5,14H,1H3,(H,10,11)(H,12,13);1-4,9-10H
InChIKeyFSZSTKCAUXPXHE-UHFFFAOYSA-N
MW431.47 g/mol
LogP-0.28
Rot. Bonds4

About (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid

(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid (PubChem CID 174686253) has the molecular formula C14H16AsBClNO7 and a molecular weight of 431.47 g/mol. Its IUPAC name is (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid.

Molecular Properties

Compound Name(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid
PubChem CID174686253
Molecular FormulaC14H16AsBClNO7
Molecular Weight431.47 g/mol
Exact Mass430.99
IUPAC Name(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C8H10AsNO5.C6H6BClO2/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;8-6-3-1-2-5(4-6)7(9)10/h2-5,14H,1H3,(H,10,11)(H,12,13);1-4,9-10H
InChIKeyFSZSTKCAUXPXHE-UHFFFAOYSA-N
XLogP-0.28
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 5-0.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid;2,3-dimethylbutane-2,3-diol
CID 174674471
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
CID 174902102
(2-acetamidophenyl)-hydroperoxyarsinic acid;methyl 3-acetyloxybenzoate
CID 174434185
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-(2-phenylethyl)propanedioic acid
CID 174952648
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-amino-4-hydroxybenzenesulfonic acid
CID 174417587
(2-acetamidophenyl)-hydroperoxyarsinic acid;6-chloro-7H-purine
CID 174302101
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-methylpyridine-3-sulfonic acid;hydrochloride
CID 174654844
(2-acetamidophenyl)-hydroperoxyarsinic acid;(4-nitrophenyl)-phenylmethanone
CID 174916439
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methyl-5-nitrobenzoic acid
CID 174556864
(2-acetamidophenyl)-hydroperoxyarsinic acid;5-hydroxy-2-phosphorosopentanoic acid
CID 174670621
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-bromo-5-nitropyridine
CID 174425311
(2-acetamidophenyl) 3-chlorobenzoate
CID 23011243

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid?
The IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid (CID 174686253) is (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid.
What is the SMILES notation for (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid?
The canonical SMILES for (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid is CC(=O)Nc1ccccc1[As](=O)(O)OO.OB(O)c1cccc(Cl)c1.
What is the InChIKey of (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid?
The InChIKey is FSZSTKCAUXPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C6H6BClO2/c1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14;8-6-3-1-2-5(4-6)7(9)10/h2-5,14H,1H3,(H,10,11)(H,12,13);1-4,9-10H.
What are the key properties of (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid?
(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid has a molecular weight of 431.47 g/mol, XLogP of -0.28, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid is sourced from PubChem (CID 174686253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).