4-arsorosoaniline

C6H6AsNO — CID 14290

IUPAC4-arsorosoaniline
SMILESNc1ccc([As]=O)cc1
InChIInChI=1S/C6H6AsNO/c8-6-3-1-5(7-9)2-4-6/h1-4H,8H2
InChIKeyVOLTUGUMYQENMY-UHFFFAOYSA-N
MW183.04 g/mol
LogP-0.06
Rot. Bonds1

About 4-arsorosoaniline

4-arsorosoaniline (PubChem CID 14290) has the molecular formula C6H6AsNO and a molecular weight of 183.04 g/mol. Its IUPAC name is 4-arsorosoaniline.

Molecular Properties

Compound Name4-arsorosoaniline
PubChem CID14290
Molecular FormulaC6H6AsNO
Molecular Weight183.04 g/mol
Exact Mass182.97
IUPAC Name4-arsorosoaniline
SMILESNc1ccc([As]=O)cc1
InChIInChI=1S/C6H6AsNO/c8-6-3-1-5(7-9)2-4-6/h1-4H,8H2
InChIKeyVOLTUGUMYQENMY-UHFFFAOYSA-N
XLogP-0.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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
Arsanilic Acid
CID 7389
M-Phenylenediamine
CID 7935
N-Phenylhydroxylamine
CID 7518
4-Fluoroaniline
CID 9731
1,4-Diaminobenzene dihydrochloride
CID 12205
Benzenamine hydrochloride (1:1)
CID 8870
O-Phenylenediamine
CID 7243
Sodium Arsanilate
CID 23670523
2-Fluoroaniline
CID 9584
4-Iodoaniline
CID 10893

Frequently Asked Questions

What is the IUPAC name of 4-arsorosoaniline?
The IUPAC name of 4-arsorosoaniline (CID 14290) is 4-arsorosoaniline.
What is the SMILES notation for 4-arsorosoaniline?
The canonical SMILES for 4-arsorosoaniline is Nc1ccc([As]=O)cc1.
What is the InChIKey of 4-arsorosoaniline?
The InChIKey is VOLTUGUMYQENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsNO/c8-6-3-1-5(7-9)2-4-6/h1-4H,8H2.
What are the key properties of 4-arsorosoaniline?
4-arsorosoaniline has a molecular weight of 183.04 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsorosoaniline is sourced from PubChem (CID 14290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).