| CAS Number | 2096339-67-0 |
| Catalog Number | AG01EHKS |
| Chemical Name | 4-Chloro-2-piperidinophenylboronic acid |
| IUPAC Name | (4-chloro-2-piperidin-1-ylphenyl)boronic acid |
| InChI | InChI=1S/C11H15BClNO2/c13-9-4-5-10(12(15)16)11(8-9)14-6-2-1-3-7-14/h4-5,8,15-16H,1-3,6-7H2 |
| InChI Key | IPRIUKMASVKFFN-UHFFFAOYSA-N |
| MDL Number | MFCD18087685 |
| Molecular Formula | C11H15BClNO2 |
| Molecular Weight | 239.5063 |
| SMILES | OB(c1ccc(cc1N1CCCCC1)Cl)O |
| Synonyms | 4-Chloro-2-piperidinophenylboronic acid,
2096339-67-0,
(4-Chloro-2-(piperidin-1-yl)phenyl)boronic acid,
MFCD18087685,
AKOS027375241,
ZINC169934618,
Y2730,
B-9328,
C11H15BClNO2,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.506g/mol |
| Monoisotopic Mass | 239.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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