| CAS Number | 127159-66-4 |
| Catalog Number | AG01BEGQ |
| Chemical Name | Sodium 2-fluorobenzene-1-sulfinate |
| IUPAC Name | sodium;2-fluorobenzenesulfinate |
| InChI | InChI=1S/C6H5FO2S.Na/c7-5-3-1-2-4-6(5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1 |
| InChI Key | ZGOTUKXVYFUJID-UHFFFAOYSA-M |
| MDL Number | MFCD11618050 |
| Molecular Formula | C6H4FNaO2S |
| Molecular Weight | 182.1479 |
| SMILES | [Na+].[O-]S(C1=C(F)C=CC=C1)=O |
| Synonyms | sodium 2-fluorobenzene-1-sulfinate,
127159-66-4,
2-Fluorobenzenesulfinic acid sodium salt,
Sodium 2-fluorobenzenesulfinate,
SCHEMBL2932976,
ZGOTUKXVYFUJID-UHFFFAOYSA-M,
MFCD11618050,
AKOS006318704,
CID11788642,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.144g/mol |
| Monoisotopic Mass | 181.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number