| CAS Number | 2096336-16-0 |
| Catalog Number | AG019EZF |
| Chemical Name | (3-Fluoro-5-(2-methylpiperidine-1-carbonyl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-5-(2-methylpiperidine-1-carbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C13H17BFNO3/c1-9-4-2-3-5-16(9)13(17)10-6-11(14(18)19)8-12(15)7-10/h6-9,18-19H,2-5H2,1H3 |
| InChI Key | FOZKXTAGQOGLLH-UHFFFAOYSA-N |
| MDL Number | MFCD20265340 |
| Molecular Formula | C13H17BFNO3 |
| Molecular Weight | 265.0884 |
| SMILES | Fc1cc(cc(c1)B(O)O)C(=O)N1CCCCC1C |
| Synonyms | 2096336-16-0,
3-Fluoro-5-(2-methyl-1-piperidinylcarbonyl)benzeneboronic acid,
(3-Fluoro-5-(2-methylpiperidine-1-carbonyl)phenyl)boronic acid,
[3-fluoro-5-(2-methylpiperidine-1-carbonyl)phenyl]boronic acid,
MFCD20265340,
ACN-043256,
AS-55739,
3-Fluoro-5-(2-methyl-1-piperidinylcarbonyl)phenylboronic acid,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.091g/mol |
| Monoisotopic Mass | 265.129g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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