| CAS Number | 20677-52-5 |
| Catalog Number | AG002IP0(AGN-PC-0NE68E) |
| Chemical Name | 3-chlorobenzenesulfonic Acid |
| IUPAC Name | 3-chlorobenzenesulfonic acid |
| InChI | InChI=1S/C6H5ClO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H,8,9,10) |
| InChI Key | IQOJIHIRSVQTJJ-UHFFFAOYSA-N |
| MDL Number | MFCD18837117 |
| Molecular Formula | C6H5ClO3S |
| Molecular Weight | 192.6201 |
| SMILES | ClC=1C=C(C=CC1)S(=O)(=O)O |
| Synonyms | 3-chlorobenzenesulfonic Acid,
20677-52-5,
3-Chloro-benzenesulfonic acid,
3-chlorobenzenesulphonic acid,
SCHEMBL294451,
Benzenesulfonic acid, 3-chloro-,
IQOJIHIRSVQTJJ-UHFFFAOYSA-N,
ZINC34496508,
AKOS015940019,
AJ-88918,
AM100491,
DA-17227,
AB1009899,
FT-0750017,
null,
CID10997869,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.613g/mol |
| Monoisotopic Mass | 191.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number