[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid

C12H12As2N2O6 — CID 23749

IUPAC[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid
SMILESO=[As](O)(O)c1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1
InChIInChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)/b16-15+
InChIKeyITRMROGJSNWFKO-FOCLMDBBSA-N
MW430.08 g/mol
LogP-0.78
Rot. Bonds4

About [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid

[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid (PubChem CID 23749) has the molecular formula C12H12As2N2O6 and a molecular weight of 430.08 g/mol. Its IUPAC name is [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid.

Molecular Properties

Compound Name[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid
PubChem CID23749
Molecular FormulaC12H12As2N2O6
Molecular Weight430.08 g/mol
Exact Mass429.91
IUPAC Name[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid
SMILESO=[As](O)(O)c1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1
InChIInChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)/b16-15+
InChIKeyITRMROGJSNWFKO-FOCLMDBBSA-N
XLogP-0.78
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.08
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Arsanilic Acid
CID 7389
Azoxybenzene
CID 10316
Azobenzene
CID 2272
2-Aminophenylarsonic acid
CID 73161
Bis(4-aminophenyl)arsinic acid
CID 238244
Arsonic acid, (4-((4-aminophenyl)azo)phenyl)-
CID 81422
(4-Aminophenyl)arsonous acid
CID 224310
(3-Aminophenyl)phenylarsinic acid
CID 237673
(2-Aminophenyl)phenylarsinic acid
CID 238243
p-Fluoroazobenzene
CID 226039
Arsine, (p-aminophenyl)oxo-, dihydrate
CID 52502
(4-Aminophenyl)(4-nitrophenyl)arsinic acid
CID 234637

Frequently Asked Questions

What is the IUPAC name of [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid?
The IUPAC name of [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid (CID 23749) is [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid.
What is the SMILES notation for [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid?
The canonical SMILES for [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid is O=[As](O)(O)c1ccc(/N=N/c2ccc([As](=O)(O)O)cc2)cc1.
What is the InChIKey of [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid?
The InChIKey is ITRMROGJSNWFKO-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)/b16-15+.
What are the key properties of [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid?
[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid has a molecular weight of 430.08 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid is sourced from PubChem (CID 23749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).