| CAS Number | 1704097-46-0 |
| Catalog Number | AG00ARDH(AGN-PC-0WCTOC) |
| Chemical Name | [4-(cyclopentylsulfamoyl)-3,5-dimethylphenyl]boronic acid |
| IUPAC Name | [4-(cyclopentylsulfamoyl)-3,5-dimethylphenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO4S/c1-9-7-11(14(16)17)8-10(2)13(9)20(18,19)15-12-5-3-4-6-12/h7-8,12,15-17H,3-6H2,1-2H3 |
| InChI Key | OTXYDMVQKWRULL-UHFFFAOYSA-N |
| MDL Number | MFCD28805602 |
| Molecular Formula | C13H20BNO4S |
| Molecular Weight | 297.1782 |
| SMILES | C1(CCCC1)NS(=O)(=O)C1=C(C=C(C=C1C)B(O)O)C |
| Synonyms | (4-(N-cyclopentylsulfamoyl)-3,5-dimethylphenyl)boronic acid,
1704097-46-0,
MFCD28805602,
ZINC230552921,
AM88179,
AS-55334,
[4-(cyclopentylsulfamoyl)-3,5-dimethylphenyl]boronic acid,
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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 | 297.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.176g/mol |
| Monoisotopic Mass | 297.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number