| CAS Number | 1048921-25-0 |
| Catalog Number | AG01B4T3 |
| Chemical Name | 5-Bromo-2-propoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-2-propoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3 |
| InChI Key | RGCZSGFZDFOXHT-UHFFFAOYSA-N |
| MDL Number | MFCD08457537 |
| Molecular Formula | C9H10BrClO3S |
| Molecular Weight | 313.5959 |
| SMILES | CCCOC1=C(S(Cl)(=O)=O)C=C(Br)C=C1 |
| Synonyms | 1048921-25-0,
5-Bromo-2-propoxybenzene-1-sulfonyl chloride,
5-Bromo-2-propoxy-benzenesulfonylchloride,
SCHEMBL4648620,
RGCZSGFZDFOXHT-UHFFFAOYSA-N,
AKOS011382542,
ZINC100507820,
5-Bromo-2-propoxy-benzenesulfonyl chloride,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.59g/mol |
| Monoisotopic Mass | 311.922g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number