| CAS Number | 82020-51-7 |
| Catalog Number | AG008KO7(AGN-PC-00LH9G) |
| Chemical Name | 5-chloro-2-methoxybenzene-1-sulfonamide |
| IUPAC Name | 5-chloro-2-methoxybenzenesulfonamide |
| InChI | InChI=1S/C7H8ClNO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11) |
| InChI Key | SGRRWXZGKYYCCC-UHFFFAOYSA-N |
| MDL Number | MFCD03618458 |
| Molecular Formula | C7H8ClNO3S |
| Molecular Weight | 221.6613 |
| SMILES | COC1=C(S(N)(=O)=O)C=C(Cl)C=C1 |
| Synonyms | 5-chloro-2-methoxybenzenesulfonamide,
82020-51-7,
5-Chloro-2-methoxybenzene-1-sulfonamide,
Benzenesulfonamide, 5-chloro-2-methoxy-,
SCHEMBL5749988,
CTK3E3277,
DTXSID00528072,
SGRRWXZGKYYCCC-UHFFFAOYSA-N,
SBB082112,
ZINC39423924,
5-Chloro-2-methoxy-benzenesulfonamide,
AKOS005139273,
MCULE-3538898156,
ST51069156,
A1-10979,
Z57820216,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.655g/mol |
| Monoisotopic Mass | 220.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number