| CAS Number | 502187-53-3 |
| Catalog Number | AG0039D3(AGN-PC-0WNULM) |
| Chemical Name | 2-Chloro-5-methoxybenzenesulfonamide |
| IUPAC Name | 2-chloro-5-methoxybenzenesulfonamide |
| InChI | InChI=1S/C7H8ClNO3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3,(H2,9,10,11) |
| InChI Key | IARIOWWBALBFKZ-UHFFFAOYSA-N |
| MDL Number | MFCD12026254 |
| Molecular Formula | C7H8ClNO3S |
| Molecular Weight | 221.6613 |
| NSC Number | 230352 |
| SMILES | COC1=CC(S(N)(=O)=O)=C(Cl)C=C1 |
| Synonyms | 2-Chloro-5-methoxybenzenesulfonamide,
502187-53-3,
2-chloro-5-methoxybenzene-1-sulfonamide,
2-Chloro-5-methoxybenzene sulfonamide,
NSC230352,
2-chloro-5-methoxy-benzenesulfonamide,
AC1L7OSH,
SCHEMBL289788,
IARIOWWBALBFKZ-UHFFFAOYSA-N,
ZINC1759412,
MFCD12026254,
AKOS010899654,
MCULE-6484051414,
NE38981,
NSC-230352,
BS-13856,
BB 0260990,
EN300-83794,
CID314042,
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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 | 0.7 |
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Certificate of Analysis
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