| CAS Number | 219945-37-6 |
| Catalog Number | AG01DW8Q |
| Chemical Name | Propan-2-yl 2-bromobenzene-1-sulfonate |
| IUPAC Name | propan-2-yl 2-bromobenzenesulfonate |
| InChI | InChI=1S/C9H11BrO3S/c1-7(2)13-14(11,12)9-6-4-3-5-8(9)10/h3-7H,1-2H3 |
| InChI Key | AISPPKSSOLMHOC-UHFFFAOYSA-N |
| MDL Number | MFCD25961115 |
| Molecular Formula | C9H11BrO3S |
| Molecular Weight | 279.1508 |
| SMILES | CC(OS(C1=C(Br)C=CC=C1)(=O)=O)C |
| Synonyms | propan-2-yl 2-bromobenzene-1-sulfonate,
219945-37-6,
2-bromobenzenesulfonic acid isopropyl ester,
isopropyl 2-bromobenzenesulfonate,
SCHEMBL20414679,
AISPPKSSOLMHOC-UHFFFAOYSA-N,
2-Bromobenzenesulfonic acid, 1-methylethyl ester,
CID10684044,
1-bromo-2-propan-2-yloxysulfonyl-benzene,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.148g/mol |
| Monoisotopic Mass | 277.961g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number