(4-aminophenyl)arsonic acid

C6H8AsNO3 — CID 7389

💊View drug profile → arsanilic acid
IUPAC(4-aminophenyl)arsonic acid
SMILESNc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKeyXKNKHVGWJDPIRJ-UHFFFAOYSA-N
MW217.06 g/mol
LogP-1.17
Rot. Bonds1

About (4-aminophenyl)arsonic acid

(4-aminophenyl)arsonic acid (PubChem CID 7389) has the molecular formula C6H8AsNO3 and a molecular weight of 217.06 g/mol. Its IUPAC name is (4-aminophenyl)arsonic acid.

Molecular Properties

Compound Name(4-aminophenyl)arsonic acid
PubChem CID7389
Molecular FormulaC6H8AsNO3
Molecular Weight217.06 g/mol
Exact Mass216.97
IUPAC Name(4-aminophenyl)arsonic acid
SMILESNc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
InChIKeyXKNKHVGWJDPIRJ-UHFFFAOYSA-N
XLogP-1.17
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aniline
CID 6115
P-Phenylenediamine
CID 7814
N-Phenylhydroxylamine
CID 7518
Benzenamine hydrochloride (1:1)
CID 8870
Sodium Arsanilate
CID 23670523
Benzenamine, hydrobromide (1:1)
CID 68330
As,As'-(1,2-Diazenediyldi-4,1-phenylene)bis(arsonic acid)
CID 23749
4-Arsenosobenzenamine
CID 14290
N-phenylaminosulfonamide
CID 15569631
3-Aminophenylboronic acid
CID 92269
P-(4-Aminophenyl)phosphonic acid
CID 53590
Phosphonic acid, P-(3-aminophenyl)-
CID 79477

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)arsonic acid?
The IUPAC name of (4-aminophenyl)arsonic acid (CID 7389) is (4-aminophenyl)arsonic acid.
What is the SMILES notation for (4-aminophenyl)arsonic acid?
The canonical SMILES for (4-aminophenyl)arsonic acid is Nc1ccc([As](=O)(O)O)cc1.
What is the InChIKey of (4-aminophenyl)arsonic acid?
The InChIKey is XKNKHVGWJDPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11).
What are the key properties of (4-aminophenyl)arsonic acid?
(4-aminophenyl)arsonic acid has a molecular weight of 217.06 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)arsonic acid is sourced from PubChem (CID 7389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).