| CAS Number | 51521-75-6 |
| Catalog Number | AG019Z9B(AGN-PC-03KD9O) |
| Chemical Name | 2,4-Dichloro-5-methanesulfonylbenzoic acid |
| IUPAC Name | 2,4-dichloro-5-methylsulfonylbenzoic acid |
| InChI | InChI=1S/C8H6Cl2O4S/c1-15(13,14)7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12) |
| InChI Key | ODSUNGPMHBSXNU-UHFFFAOYSA-N |
| MDL Number | MFCD11179857 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | CS(C1=C(Cl)C=C(Cl)C(C(O)=O)=C1)(=O)=O |
| Synonyms | 2,4-dichloro-5-methanesulfonylbenzoic acid,
51521-75-6,
2,4-dichloro-5-methylsulphonylbenzoic acid,
SCHEMBL8573459,
ODSUNGPMHBSXNU-UHFFFAOYSA-N,
ZINC36893864,
AKOS009307938,
MCULE-9373438897,
NE42011,
2,4-dichloro-5-methylsulfonylbenzoic acid,
Z1696844445,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.092g/mol |
| Monoisotopic Mass | 267.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number