| CAS Number | 1402238-36-1 |
| Catalog Number | AG001C63(AGN-PC-0WA6YH) |
| Chemical Name | 2-Methyl-4-Sulfamoylphenylboronic Acid |
| IUPAC Name | (2-methyl-4-sulfamoylphenyl)boronic acid |
| InChI | InChI=1S/C7H10BNO4S/c1-5-4-6(14(9,12)13)2-3-7(5)8(10)11/h2-4,10-11H,1H3,(H2,9,12,13) |
| InChI Key | BSLOFCDDCNUTDZ-UHFFFAOYSA-N |
| MDL Number | MFCD19684107 |
| Molecular Formula | C7H10BNO4S |
| Molecular Weight | 215.0346 |
| SMILES | OB(c1ccc(cc1C)S(=O)(=O)N)O |
| Synonyms | 2-Methyl-4-sulfamoylphenylboronic acid,
1402238-36-1,
SCHEMBL15751431,
MFCD19684107,
ZINC169811008,
FCH1359334,
OR70128,
2-Methyl-4-sulphamoylbenzeneboronic acid,
V3047,
B-9816,
Boronic acid, B-[4-(aminosulfonyl)-2-methylphenyl]-,
C7H10BNO4S,
2-Methyl-4-sulfamoylbenzeneboronic acid,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.03g/mol |
| Monoisotopic Mass | 215.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number