| CAS Number | 2096341-73-8 |
| Catalog Number | AG01EHB8(AGN-PC-3H45GL) |
| Chemical Name | 4-Chloro-3-(pyridin-3-ylmethoxy)phenylboronic acid |
| IUPAC Name | [4-chloro-3-(pyridin-3-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BClNO3/c14-11-4-3-10(13(16)17)6-12(11)18-8-9-2-1-5-15-7-9/h1-7,16-17H,8H2 |
| InChI Key | FIYZIBCQFDRMGC-UHFFFAOYSA-N |
| MDL Number | MFCD18837608 |
| Molecular Formula | C12H11BClNO3 |
| Molecular Weight | 263.4846 |
| SMILES | OB(C1=CC=C(Cl)C(OCC2=CC=CN=C2)=C1)O |
| Synonyms | 4-Chloro-3-(pyridin-3-ylmethoxy)phenylboronic acid,
2096341-73-8,
(4-Chloro-3-(pyridin-3-ylmethoxy)phenyl)boronic acid,
MFCD18837608,
AKOS027346000,
ZINC169951649,
Y2732,
A-3155,
C12H11BClNO3,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.484g/mol |
| Monoisotopic Mass | 263.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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