| CAS Number | 1261776-39-9 |
| Catalog Number | AG01ABQR |
| Chemical Name | 3-Bromo-5-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-5-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6BrClO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3 |
| InChI Key | NTCPGLAJHCYHGG-UHFFFAOYSA-N |
| MDL Number | MFCD18379742 |
| Molecular Formula | C7H6BrClO3S |
| Molecular Weight | 285.5427 |
| SMILES | BrC=1C=C(C=C(C1)OC)S(=O)(=O)Cl |
| Synonyms | 1261776-39-9,
3-BROMO-5-METHOXYBENZENE-1-SULFONYL CHLORIDE,
3-Bromo-5-methoxybenzenesulfonyl chloride,
SCHEMBL13584602,
AKOS017552383,
ZINC100486083,
AB75467,
NE26455,
|
| 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