| CAS Number | 1704081-32-2 |
| Catalog Number | AG019EPX(AGN-PC-0WCSA4) |
| Chemical Name | (2-Methoxy-5-(N-methylsulfamoyl)phenyl)boronic acid |
| IUPAC Name | [2-methoxy-5-(methylsulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H12BNO5S/c1-10-16(13,14)6-3-4-8(15-2)7(5-6)9(11)12/h3-5,10-12H,1-2H3 |
| InChI Key | GQBAZKRXPRYRKI-UHFFFAOYSA-N |
| MDL Number | MFCD28400429 |
| Molecular Formula | C8H12BNO5S |
| Molecular Weight | 245.0606 |
| SMILES | O=S(C1=CC=C(OC)C(B(O)O)=C1)(NC)=O |
| Synonyms | (2-methoxy-5-(N-methylsulfamoyl)phenyl)boronic acid,
1704081-32-2,
MFCD28400429,
ZINC230548719,
AM88396,
AS-55401,
CS-0061791,
[2-methoxy-5-(methylsulfamoyl)phenyl]boronic acid,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.056g/mol |
| Monoisotopic Mass | 245.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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