(4-azidophenyl)arsonic acid

C6H6AsN3O3 — CID 3246304

IUPAC(4-azidophenyl)arsonic acid
SMILES[N-]=[N+]=Nc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C6H6AsN3O3/c8-10-9-6-3-1-5(2-4-6)7(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyABBAHMOUCAIMOQ-UHFFFAOYSA-N
MW243.05 g/mol
LogP0.19
Rot. Bonds2

About (4-azidophenyl)arsonic acid

(4-azidophenyl)arsonic acid (PubChem CID 3246304) has the molecular formula C6H6AsN3O3 and a molecular weight of 243.05 g/mol. Its IUPAC name is (4-azidophenyl)arsonic acid.

Molecular Properties

Compound Name(4-azidophenyl)arsonic acid
PubChem CID3246304
Molecular FormulaC6H6AsN3O3
Molecular Weight243.05 g/mol
Exact Mass242.96
IUPAC Name(4-azidophenyl)arsonic acid
SMILES[N-]=[N+]=Nc1ccc([As](=O)(O)O)cc1
InChIInChI=1S/C6H6AsN3O3/c8-10-9-6-3-1-5(2-4-6)7(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyABBAHMOUCAIMOQ-UHFFFAOYSA-N
XLogP0.19
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Arsanilic Acid
CID 7389
Nitarsone
CID 66826
Sodium Arsanilate
CID 23670523
2-Nitrobenzenearsonic acid
CID 79424
As,As'-(1,2-Diazenediyldi-4,1-phenylene)bis(arsonic acid)
CID 23749
4-Arsenosobenzenamine
CID 14290
N-Nitroso-N-phenylhydroxylamine
CID 135418564
Azidobenzene
CID 69319
As-(3-Nitrophenyl)arsonic acid
CID 72905
1-Azido-4-fluorobenzene
CID 10887974
2-Aminophenylarsonic acid
CID 73161
1-Azido-4-iodobenzene
CID 3016836

Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl)arsonic acid?
The IUPAC name of (4-azidophenyl)arsonic acid (CID 3246304) is (4-azidophenyl)arsonic acid.
What is the SMILES notation for (4-azidophenyl)arsonic acid?
The canonical SMILES for (4-azidophenyl)arsonic acid is [N-]=[N+]=Nc1ccc([As](=O)(O)O)cc1.
What is the InChIKey of (4-azidophenyl)arsonic acid?
The InChIKey is ABBAHMOUCAIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsN3O3/c8-10-9-6-3-1-5(2-4-6)7(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of (4-azidophenyl)arsonic acid?
(4-azidophenyl)arsonic acid has a molecular weight of 243.05 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)arsonic acid is sourced from PubChem (CID 3246304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).