| CAS Number | 1704095-44-2 |
| Catalog Number | AG00ARF8(AGN-PC-0WCSBZ) |
| Chemical Name | (5-(N-cyclopentylsulfamoyl)-2-methoxyphenyl)boronic acid |
| IUPAC Name | [5-(cyclopentylsulfamoyl)-2-methoxyphenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO5S/c1-19-12-7-6-10(8-11(12)13(15)16)20(17,18)14-9-4-2-3-5-9/h6-9,14-16H,2-5H2,1H3 |
| InChI Key | XJIYITKJDWOLOZ-UHFFFAOYSA-N |
| MDL Number | MFCD28400482 |
| Molecular Formula | C12H18BNO5S |
| Molecular Weight | 299.1510 |
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)NC2CCCC2)B(O)O |
| Synonyms | (5-(N-cyclopentylsulfamoyl)-2-methoxyphenyl)boronic acid,
1704095-44-2,
MFCD28400482,
ZINC230550514,
AM88119,
CS-0061913,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.148g/mol |
| Monoisotopic Mass | 299.1g/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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