[4-(nitrosomethylamino)phenyl]arsonic acid

C7H9AsN2O4 — CID 154210771

IUPAC[4-(nitrosomethylamino)phenyl]arsonic acid
SMILESO=NCNc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C7H9AsN2O4/c11-8(12,13)6-1-3-7(4-2-6)9-5-10-14/h1-4,9H,5H2,(H2,11,12,13)
InChIKeyWVSUCPIMXVDHSP-UHFFFAOYSA-N
MW260.08 g/mol
LogP-0.62
Rot. Bonds4

About [4-(nitrosomethylamino)phenyl]arsonic acid

[4-(nitrosomethylamino)phenyl]arsonic acid (PubChem CID 154210771) has the molecular formula C7H9AsN2O4 and a molecular weight of 260.08 g/mol. Its IUPAC name is [4-(nitrosomethylamino)phenyl]arsonic acid.

Molecular Properties

Compound Name[4-(nitrosomethylamino)phenyl]arsonic acid
PubChem CID154210771
Molecular FormulaC7H9AsN2O4
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC Name[4-(nitrosomethylamino)phenyl]arsonic acid
SMILESO=NCNc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C7H9AsN2O4/c11-8(12,13)6-1-3-7(4-2-6)9-5-10-14/h1-4,9H,5H2,(H2,11,12,13)
InChIKeyWVSUCPIMXVDHSP-UHFFFAOYSA-N
XLogP-0.62
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [4-(nitrosomethylamino)phenyl]arsonic acid?
The IUPAC name of [4-(nitrosomethylamino)phenyl]arsonic acid (CID 154210771) is [4-(nitrosomethylamino)phenyl]arsonic acid.
What is the SMILES notation for [4-(nitrosomethylamino)phenyl]arsonic acid?
The canonical SMILES for [4-(nitrosomethylamino)phenyl]arsonic acid is O=NCNc1ccc([As](=O)(O)O)cc1.
What is the InChIKey of [4-(nitrosomethylamino)phenyl]arsonic acid?
The InChIKey is WVSUCPIMXVDHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9AsN2O4/c11-8(12,13)6-1-3-7(4-2-6)9-5-10-14/h1-4,9H,5H2,(H2,11,12,13).
What are the key properties of [4-(nitrosomethylamino)phenyl]arsonic acid?
[4-(nitrosomethylamino)phenyl]arsonic acid has a molecular weight of 260.08 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(nitrosomethylamino)phenyl]arsonic acid is sourced from PubChem (CID 154210771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).