| CAS Number | 1704080-64-7 |
| Catalog Number | AG00ARFA(AGN-PC-0WCS9L) |
| Chemical Name | (5-(N-Cyclopropylsulfamoyl)-2-methoxyphenyl)boronic acid |
| IUPAC Name | [5-(cyclopropylsulfamoyl)-2-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C10H14BNO5S/c1-17-10-5-4-8(6-9(10)11(13)14)18(15,16)12-7-2-3-7/h4-7,12-14H,2-3H2,1H3 |
| InChI Key | ULCCIKNCYFZGNV-UHFFFAOYSA-N |
| MDL Number | MFCD28400412 |
| Molecular Formula | C10H14BNO5S |
| Molecular Weight | 271.0979 |
| SMILES | COc1ccc(cc1B(O)O)S(=O)(=O)NC1CC1 |
| Synonyms | (5-(N-cyclopropylsulfamoyl)-2-methoxyphenyl)boronic acid,
1704080-64-7,
MFCD28400412,
ZINC230548034,
AM88117,
CS-0061912,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.094g/mol |
| Monoisotopic Mass | 271.069g/mol |
| Rotatable Bond Count | 5 |
| 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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