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Molecule
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
Identifiers
CAS Registry Number
127-85-5
SMILES
Nc1ccc([As](=O)(O)O)cc1.[Na]
InChI Key
ZFAOMOSNVOQOPC-UHFFFAOYSA-N
InChI
InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);
Names and Synonyms
- Arsonic Acid, As-(4-Aminophenyl)-, Sodium Salt (1:1) Synonym
- Arsonic acid, As-(4-aminophenyl)-, sodium salt (1:1) Synonym
- Arsanilic acid, monosodium salt Synonym
- Arsonic acid, (4-aminophenyl)-, monosodium salt Synonym
- Arsamin Synonym
- Nuarsol Synonym
- Pro-Gen Sodium Synonym
- Protoxyl Synonym
- Soamin Synonym
- Sodium aminarsonate Synonym
- Sodium p-aminobenzenearsonate Synonym
- Sodium p-aminophenylarsonate Synonym
- Sodium anilarsonate Synonym
- Sodium arsanilate Synonym
- Sonate Synonym
- Trypoxyl Synonym
- Atoxyl (pharmaceutical) Synonym
- Sodium p-aminophenylarsonate Synonym
- Sodium p-arsanilate Synonym
- Arsinosolvin Synonym
- Atoxyl Synonym
- Piglet Pro-Gen V Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.05 g/mol | CAS Common Chemistry |
| 240.04600000000002 g/mol | RDKit | |
| 240.046 g/mol | RDKit | |
| 241.054 g/mol | chempirical lib | |
| 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 |
| 83.55 Ų | RDKit | |
| LogP | -1.5510000000000004 | RDKit |
| -1.551 | RDKit | |
| Molar Refractivity | 47.1205 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.961783896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 240.05 g/mol. Edit any field — others recompute live.
