| CAS Number | 1704066-78-3 |
| Catalog Number | AG00ARLJ(AGN-PC-0WCRMM) |
| Chemical Name | 3-(4-(Tert-butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid |
| IUPAC Name | [4-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylphenyl]boronic acid |
| InChI | InChI=1S/C16H25BN2O6S/c1-12-5-6-13(17(21)22)11-14(12)26(23,24)19-9-7-18(8-10-19)15(20)25-16(2,3)4/h5-6,11,21-22H,7-10H2,1-4H3 |
| InChI Key | PMWSSCJJHFBRRM-UHFFFAOYSA-N |
| MDL Number | MFCD28384273 |
| Molecular Formula | C16H25BN2O6S |
| Molecular Weight | 384.2555 |
| SMILES | OB(c1ccc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C)O |
| Synonyms | 1704066-78-3,
3-(4-(tert-butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid,
(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)sulfonyl)-4-methylphenyl)boronic acid,
MFCD28384273,
AKOS025286557,
ZINC230536451,
AM87858,
3-(4-(t-Butoxycarbonyl)piperazin-1-ylsulfonyl)-4-methylphenylboronic acid,
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| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.254g/mol |
| Monoisotopic Mass | 384.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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