| CAS Number | 859232-71-6 |
| Catalog Number | AG00IDTP(AGN-PC-0WG48M) |
| Chemical Name | 4-Bromo-2-(methoxycarbonylmethyl)benzenesulfonamide |
| IUPAC Name | methyl 2-(5-bromo-2-sulfamoylphenyl)acetate |
| InChI | InChI=1S/C9H10BrNO4S/c1-15-9(12)5-6-4-7(10)2-3-8(6)16(11,13)14/h2-4H,5H2,1H3,(H2,11,13,14) |
| InChI Key | KHAJHOZGIYHENL-UHFFFAOYSA-N |
| MDL Number | MFCD25967952 |
| Molecular Formula | C9H10BrNO4S |
| Molecular Weight | 308.1490 |
| SMILES | COC(CC1=C(S(N)(=O)=O)C=CC(Br)=C1)=O |
| Synonyms | 859232-71-6,
4-bromo-2-(methoxycarbonylmethyl)benzenesulfonamide,
Methyl 2-(5-bromo-2-sulfamoylphenyl)acetate,
SCHEMBL18498645,
MFCD25967952,
AKOS027256017,
ZINC231542901,
CS-0037932,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.146g/mol |
| Monoisotopic Mass | 306.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number