| CAS Number | 34176-08-4 |
| Catalog Number | AG01BEGN(AGN-PC-0R9KUK) |
| Chemical Name | Sodium 4-Bromobenzene-1-sulfinate |
| IUPAC Name | sodium;4-bromobenzenesulfinate |
| InChI | InChI=1S/C6H5BrO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1 |
| InChI Key | FJSOUHVHPWODGS-UHFFFAOYSA-M |
| MDL Number | MFCD00210139 |
| Molecular Formula | C6H4BrNaO2S |
| Molecular Weight | 243.0535 |
| SMILES | O=S(O[Na])C1=CC=C(Br)C=C1 |
| Synonyms | Sodium 4-bromobenzenesulfinate,
Sodium 4-bromobenzene-1-sulfinate,
34176-08-4,
sodium 4-bromophenylsulfinate,
SCHEMBL3015881,
FJSOUHVHPWODGS-UHFFFAOYSA-M,
SBB099671,
4-bromophenylsulfinic acid sodium salt,
AKOS027323995,
4-Bromobenzenesulfinic acid sodium salt,
4-bromo-benzenesulfinic acid sodium salt,
4-bromobenzenesulfinic acid, sodium salt,
CID11160867,
175278-64-5,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.05g/mol |
| Monoisotopic Mass | 241.901g/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