| CAS Number | 27886-58-4 |
| Catalog Number | AG0039VW(AGN-PC-00MXU0) |
| Chemical Name | 2-Chlorobenzenesulfonic Acid |
| IUPAC Name | 2-chlorobenzenesulfonic acid |
| InChI | InChI=1S/C6H5ClO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10) |
| InChI Key | MNURPFVONZPVLA-UHFFFAOYSA-N |
| MDL Number | MFCD25372168 |
| Molecular Formula | C6H5ClO3S |
| Molecular Weight | 192.6201 |
| SMILES | ClC1=C(C=CC=C1)S(=O)(=O)O |
| Synonyms | 2-Chloro-benzenesulfonic acid,
27886-58-4,
2-Chlorobenzenesulfonic acid,
chlorobenzenesulfonic acid,
SCHEMBL50612,
chlorobenzene-2-sulfonic acid,
MNURPFVONZPVLA-UHFFFAOYSA-N,
ZINC34080239,
AKOS015940018,
AJ-86835,
AM100616,
DA-17228,
2-CHLOROBENZENESULFONIC ACID HYDRATE,
AB1009898,
FT-0726170,
null,
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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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number