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Arsonic Acid, As-(4-Aminophenyl)-, Sodium Salt (1:1)
CAS: 127-85-5 | C6H8AsNNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
127-85-5
Molecular Formula:
C6H8AsNNaO3
Molecular Mass:
240.05 g/mol
Names and Synonyms:
Arsonic Acid, As-(4-Aminophenyl)-, Sodium Salt (1:1)
Arsonic acid, As-(4-aminophenyl)-, sodium salt (1:1)
Arsanilic acid, monosodium salt
Arsonic acid, (4-aminophenyl)-, monosodium salt
Arsamin
Nuarsol
Pro-Gen Sodium
Protoxyl
Soamin
Sodium aminarsonate
Sodium p-aminobenzenearsonate
Sodium p-aminophenylarsonate
Sodium anilarsonate
Sodium arsanilate
Sonate
Trypoxyl
Atoxyl (pharmaceutical)
Sodium p-aminophenylarsonate
Sodium p-arsanilate
Arsinosolvin
Atoxyl
Piglet Pro-Gen V
Identifiers:
SMILES:
Nc1ccc([As](=O)(O)O)cc1.[Na]
InChI:
InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.05 g/mol | CAS Common Chemistry |
| 240.04600000000002 g/mol | RDKit | |
| 239.961783896 g/mol | RDKit | |
| Canonical SMILES | [Na].O=[As](O)(O)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11); | CAS Common Chemistry |
| InChI Key | InChIKey=ZFAOMOSNVOQOPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Arsonic acid, As-(4-aminophenyl)-, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55000000000001 Ų | RDKit |
| LogP | -1.5510000000000004 | RDKit |
| Molar Refractivity | 47.1205 | RDKit |
