| CAS Number | 1447713-71-4 |
| Catalog Number | AG00ARAS(AGN-PC-0WCTMH) |
| Chemical Name | (3-Fluoro-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C11H16BFN2O4S/c1-14-4-6-15(7-5-14)20(18,19)11-3-2-9(12(16)17)8-10(11)13/h2-3,8,16-17H,4-7H2,1H3 |
| InChI Key | VCJDQZKWLFXGLF-UHFFFAOYSA-N |
| MDL Number | MFCD28805500 |
| Molecular Formula | C11H16BFN2O4S |
| Molecular Weight | 302.1301 |
| SMILES | S(=O)(=O)(c1c(F)cc(cc1)B(O)O)N1CCN(CC1)C |
| Synonyms | (3-fluoro-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid,
1447713-71-4,
{3-fluoro-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}boronic acid,
MFCD28805500,
ZINC230551376,
AM86601,
AS-55324,
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| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.127g/mol |
| Monoisotopic Mass | 302.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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