| CAS Number | 1009628-70-9 |
| Catalog Number | AG01B17H |
| Chemical Name | Sodium 2-(trifluoromethyl)benzene-1-sulfinate |
| IUPAC Name | sodium;2-(trifluoromethyl)benzenesulfinate |
| InChI | InChI=1S/C7H5F3O2S.Na/c8-7(9,10)5-3-1-2-4-6(5)13(11)12;/h1-4H,(H,11,12);/q;+1/p-1 |
| InChI Key | XYBCDQSEZJACQL-UHFFFAOYSA-M |
| MDL Number | MFCD11618069 |
| Molecular Formula | C7H4F3NaO2S |
| Molecular Weight | 232.1554 |
| SMILES | [Na+].[O-]S(C1=C(C(F)(F)F)C=CC=C1)=O |
| Synonyms | sodium 2-(trifluoromethyl)benzene-1-sulfinate,
1009628-70-9,
2-(Trifluoromethyl)benzenesulfinic acid sodium salt,
Sodium 2-(trifluoromethyl)benzenesulfinate,
SCHEMBL3601372,
XYBCDQSEZJACQL-UHFFFAOYSA-M,
MFCD11618069,
NE25259,
CID11345280,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.152g/mol |
| Monoisotopic Mass | 231.978g/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