| CAS Number | 89520-63-8 |
| Catalog Number | AG01BEFW(AGN-PC-0VP5T6) |
| Chemical Name | SODIUM 4-(TRIFLUOROMETHYL)BENZENE-1-SULFINATE |
| IUPAC Name | sodium;4-(trifluoromethyl)benzenesulfinate |
| InChI | InChI=1S/C7H5F3O2S.Na/c8-7(9,10)5-1-3-6(4-2-5)13(11)12;/h1-4H,(H,11,12);/q;+1/p-1 |
| InChI Key | IRJVONHUBTUTAL-UHFFFAOYSA-M |
| MDL Number | MFCD11618070 |
| Molecular Formula | C7H4F3NaO2S |
| Molecular Weight | 232.1554 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)S(=O)[O-].[Na+] |
| Synonyms | 4-(Trifluoromethyl)benzenesulfinic acid sodium salt,
89520-63-8,
sodium 4-(trifluoromethyl)benzene-1-sulfinate,
Sodium 4-(trifluoromethyl)benzenesulfinate,
SCHEMBL1583587,
IRJVONHUBTUTAL-UHFFFAOYSA-M,
MFCD11618070,
AKOS026672313,
NE50900,
Sodium 4-trifluoromethylbenzenesulfinate,
CID11218506,
|
| Complexity | 202 |
| 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