(4-acetyl-2-nitrophenyl)arsonamidic acid

C8H9AsN2O5 — CID 154217190

IUPAC(4-acetyl-2-nitrophenyl)arsonamidic acid
SMILESCC(=O)c1ccc([As](N)(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9AsN2O5/c1-5(12)6-2-3-7(9(10,13)14)8(4-6)11(15)16/h2-4H,1H3,(H3,10,13,14)
InChIKeyQHBUOVMFHGQUFM-UHFFFAOYSA-N
MW288.09 g/mol
LogP-0.68
Rot. Bonds3

About (4-acetyl-2-nitrophenyl)arsonamidic acid

(4-acetyl-2-nitrophenyl)arsonamidic acid (PubChem CID 154217190) has the molecular formula C8H9AsN2O5 and a molecular weight of 288.09 g/mol. Its IUPAC name is (4-acetyl-2-nitrophenyl)arsonamidic acid.

Molecular Properties

Compound Name(4-acetyl-2-nitrophenyl)arsonamidic acid
PubChem CID154217190
Molecular FormulaC8H9AsN2O5
Molecular Weight288.09 g/mol
Exact Mass287.97
IUPAC Name(4-acetyl-2-nitrophenyl)arsonamidic acid
SMILESCC(=O)c1ccc([As](N)(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9AsN2O5/c1-5(12)6-2-3-7(9(10,13)14)8(4-6)11(15)16/h2-4H,1H3,(H3,10,13,14)
InChIKeyQHBUOVMFHGQUFM-UHFFFAOYSA-N
XLogP-0.68
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-acetyl-2-nitrophenolate
CID 158587086
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
3-(4-acetyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171869098
1-[4-[methyl(2-methylprop-2-enyl)amino]-3-nitrophenyl]ethanone
CID 115967648
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315
1-[4-(2-hydroxyethylamino)-3-nitrophenyl]ethanone
CID 35749187
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
3-(4-acetyl-2-nitroanilino)-2,2-dimethylpropanamide
CID 60507737
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
3-(4-acetyl-2-nitrophenyl)prop-2-enenitrile
CID 169484244

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-2-nitrophenyl)arsonamidic acid?
The IUPAC name of (4-acetyl-2-nitrophenyl)arsonamidic acid (CID 154217190) is (4-acetyl-2-nitrophenyl)arsonamidic acid.
What is the SMILES notation for (4-acetyl-2-nitrophenyl)arsonamidic acid?
The canonical SMILES for (4-acetyl-2-nitrophenyl)arsonamidic acid is CC(=O)c1ccc([As](N)(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of (4-acetyl-2-nitrophenyl)arsonamidic acid?
The InChIKey is QHBUOVMFHGQUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9AsN2O5/c1-5(12)6-2-3-7(9(10,13)14)8(4-6)11(15)16/h2-4H,1H3,(H3,10,13,14).
What are the key properties of (4-acetyl-2-nitrophenyl)arsonamidic acid?
(4-acetyl-2-nitrophenyl)arsonamidic acid has a molecular weight of 288.09 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-2-nitrophenyl)arsonamidic acid is sourced from PubChem (CID 154217190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).