| CAS Number | 1432679-77-0 |
| Catalog Number | AG01A48T |
| Chemical Name | 2,4-dibromo-5-(chlorosulfonyl)benzoic acid |
| IUPAC Name | 2,4-dibromo-5-chlorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H3Br2ClO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChI Key | LQYPWHNQYGXWFH-UHFFFAOYSA-N |
| MDL Number | MFCD23701810 |
| Molecular Formula | C7H3Br2ClO4S |
| Molecular Weight | 378.4223 |
| SMILES | OC(C1=C(Br)C=C(Br)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 2,4-dibromo-5-(chlorosulfonyl)benzoic acid,
1432679-77-0,
ZINC100471692,
NE17066,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.779g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.415g/mol |
| Monoisotopic Mass | 375.781g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number