| CAS Number | 1704064-00-5 |
| Catalog Number | AG00ARMX(AGN-PC-0WCRLB) |
| Chemical Name | [4-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)-3-fluorophenyl]boronic acid |
| IUPAC Name | [3-fluoro-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid |
| InChI | InChI=1S/C16H24BFN2O4/c1-16(2,3)24-15(21)20-8-6-19(7-9-20)11-12-4-5-13(17(22)23)10-14(12)18/h4-5,10,22-23H,6-9,11H2,1-3H3 |
| InChI Key | XLDYCBRJWKIQDK-UHFFFAOYSA-N |
| MDL Number | MFCD28384232 |
| Molecular Formula | C16H24BFN2O4 |
| Molecular Weight | 338.1822 |
| SMILES | C(C)(C)(C)OC(=O)N1CCN(CC1)CC1=C(C=C(C=C1)B(O)O)F |
| Synonyms | 1704064-00-5,
4-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)-3-fluorophenylboronic acid,
MFCD28384232,
AKOS025286232,
ZINC230527522,
AM87802,
AS-55343,
(4-((4-(t-Butoxycarbonyl)piperazin-1-yl)methyl)-3-fluorophenyl)boronic acid,
(4-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)-3-fluorophenyl)boronic acid,
[4-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)-3-fluorophenyl]boronic acid,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.186g/mol |
| Monoisotopic Mass | 338.181g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number