| CAS Number | 1374249-95-2 |
| Catalog Number | AG01B909 |
| Chemical Name | Methyl 4-bromo-2-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 4-bromo-2-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6BrClO4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3 |
| InChI Key | BXVOUPRBGBQUOK-UHFFFAOYSA-N |
| MDL Number | MFCD30342714 |
| Molecular Formula | C8H6BrClO4S |
| Molecular Weight | 313.5528 |
| SMILES | O=C(OC)C1=CC=C(Br)C=C1S(=O)(Cl)=O |
| Synonyms | methyl 4-bromo-2-(chlorosulfonyl)benzoate,
1374249-95-2,
SCHEMBL17078010,
ZINC308779207,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.546g/mol |
| Monoisotopic Mass | 311.886g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number