| CAS Number | 1155912-18-7 |
| Catalog Number | AG01A2JT |
| Chemical Name | ethyl 3-bromo-5-(chlorosulfonyl)benzoate |
| IUPAC Name | ethyl 3-bromo-5-chlorosulfonylbenzoate |
| InChI | InChI=1S/C9H8BrClO4S/c1-2-15-9(12)6-3-7(10)5-8(4-6)16(11,13)14/h3-5H,2H2,1H3 |
| InChI Key | ZNGKJWCNQBKXBR-UHFFFAOYSA-N |
| MDL Number | MFCD12169538 |
| Molecular Formula | C9H8BrClO4S |
| Molecular Weight | 327.5794 |
| SMILES | CCOC(C1=CC(S(Cl)(=O)=O)=CC(Br)=C1)=O |
| Synonyms | ethyl 3-bromo-5-(chlorosulfonyl)benzoate,
1155912-18-7,
ZINC59262192,
NE22074,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.573g/mol |
| Monoisotopic Mass | 325.902g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number