| CAS Number | 2096334-12-0 |
| Catalog Number | AG01EHF7 |
| Chemical Name | 3-Chloro-5-piperidinophenylboronic acid, pinacol ester |
| IUPAC Name | 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine |
| InChI | InChI=1S/C17H25BClNO2/c1-16(2)17(3,4)22-18(21-16)13-10-14(19)12-15(11-13)20-8-6-5-7-9-20/h10-12H,5-9H2,1-4H3 |
| InChI Key | JYJSBMJOWHZUHO-UHFFFAOYSA-N |
| MDL Number | MFCD21609687 |
| Molecular Formula | C17H25BClNO2 |
| Molecular Weight | 321.6499 |
| SMILES | ClC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(N3CCCCC3)=C1 |
| Synonyms | 3-Chloro-5-piperidinophenylboronic acid, pinacol ester,
2096334-12-0,
1-(3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine,
MFCD21609687,
ZINC169965044,
B-9114,
N/A,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.652g/mol |
| Monoisotopic Mass | 321.167g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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