| CAS Number | 1215295-91-2 |
| Catalog Number | AG009DTE(AGN-PC-0WB5VR) |
| Chemical Name | 4-Bromo-3-methoxybenzenesulfonyl chloride |
| IUPAC Name | 4-bromo-3-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6BrClO3S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4H,1H3 |
| InChI Key | APCCBOUSWYTPJQ-UHFFFAOYSA-N |
| MDL Number | MFCD14702923 |
| Molecular Formula | C7H6BrClO3S |
| Molecular Weight | 285.5427 |
| SMILES | COc1cc(ccc1Br)S(=O)(=O)Cl |
| Synonyms | 4-Bromo-3-methoxybenzenesulfonyl chloride,
1215295-91-2,
4-Bromo-3-methoxybenzene-1-sulfonyl chloride,
SCHEMBL4536499,
DTXSID00678905,
APCCBOUSWYTPJQ-UHFFFAOYSA-N,
MFCD14702923,
SBB081984,
AKOS005139205,
ZINC100153538,
(4-bromo-3-methoxyphenyl)chlorosulfone,
AM85034,
4-bromo-3-methoxyphenylsulfonyl chloride,
4-bromo-3-(methyloxy)benzenesulfonyl chloride,
Y-7558,
4-bromo-3-methoxybenzenesulfonyl chloride(SALTDATA,
350997-17-0,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.536g/mol |
| Monoisotopic Mass | 283.891g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number