| CAS Number | 90841-72-8 |
| Catalog Number | AG01A9CK |
| Chemical Name | 2-(4-Bromobenzenesulfonyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(4-bromophenyl)sulfonyl-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11BrO4S/c1-10(2,9(12)13)16(14,15)8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) |
| InChI Key | RSQKRUYZPIALKA-UHFFFAOYSA-N |
| MDL Number | MFCD12816688 |
| Molecular Formula | C10H11BrO4S |
| Molecular Weight | 307.1609 |
| SMILES | CC(S(C1=CC=C(Br)C=C1)(=O)=O)(C(O)=O)C |
| Synonyms | 2-(4-bromobenzenesulfonyl)-2-methylpropanoic acid,
90841-72-8,
2-[(4-bromobenzene)sulfonyl]-2-methylpropanoic acid,
AC1Q1LIM,
CHEMBL3465329,
ZINC37934658,
AKOS010214381,
MCULE-6218749795,
NE22373,
EN300-64716,
Z1259161924,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.158g/mol |
| Monoisotopic Mass | 305.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number