| CAS Number | 15946-36-8 |
| Catalog Number | AG001R46(AGN-PC-0WD0YB) |
| Chemical Name | Benzenesulfinic acid, 2-chloro-, sodium salt (1:1) |
| IUPAC Name | sodium;2-chlorobenzenesulfinate |
| InChI | InChI=1S/C6H5ClO2S.Na/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1 |
| InChI Key | UTTKMJVQWOVAIH-UHFFFAOYSA-M |
| MDL Number | MFCD11618026 |
| Molecular Formula | C6H4ClNaO2S |
| Molecular Weight | 198.6025 |
| SMILES | O=S(C1=CC=CC=C1Cl)[O-].[Na+] |
| Synonyms | Sodium 2-chlorobenzenesulfinate,
15946-36-8,
sodium 2-chlorobenzene-1-sulfinate,
2-Chlorobenzenesulfinic acid sodium salt,
SCHEMBL1465305,
DTXSID10635807,
UTTKMJVQWOVAIH-UHFFFAOYSA-M,
MFCD11618026,
AKOS006318702,
NE45687,
Benzenesulfinic acid, 2-chloro-, sodium salt (1:1),
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.596g/mol |
| Monoisotopic Mass | 197.952g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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