| CAS Number | 1704066-72-7 |
| Catalog Number | AG00AR9J(AGN-PC-0WCS4R) |
| Chemical Name | (3-(N-Methoxysulfamoyl)phenyl)boronic acid |
| IUPAC Name | [3-(methoxysulfamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H10BNO5S/c1-14-9-15(12,13)7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3 |
| InChI Key | ASJYQZKDXCIXAV-UHFFFAOYSA-N |
| MDL Number | MFCD28400254 |
| Molecular Formula | C7H10BNO5S |
| Molecular Weight | 231.0340 |
| SMILES | CONS(=O)(=O)C=1C=C(C=CC1)B(O)O |
| Synonyms | (3-(N-methoxysulfamoyl)phenyl)boronic acid,
1704066-72-7,
MFCD28400254,
ZINC230536144,
AM88321,
[3-(methoxysulfamoyl)phenyl]boronic acid,
AS-55318,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.029g/mol |
| Monoisotopic Mass | 231.037g/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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