| CAS Number | 1256355-50-6 |
| Catalog Number | AG000O49(AGN-PC-0WA7NQ) |
| Chemical Name | 3-(Pyridin-2-ylmethoxy)phenylboronic acid |
| IUPAC Name | [3-(pyridin-2-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H12BNO3/c15-13(16)10-4-3-6-12(8-10)17-9-11-5-1-2-7-14-11/h1-8,15-16H,9H2 |
| InChI Key | TYDYAVCTOHBQAL-UHFFFAOYSA-N |
| MDL Number | MFCD11183192 |
| Molecular Formula | C12H12BNO3 |
| Molecular Weight | 229.0396 |
| SMILES | OB(c1cccc(c1)OCc1ccccn1)O |
| Synonyms | 3-(PYRIDIN-2-YLMETHOXY)PHENYLBORONIC ACID,
1256355-50-6,
(3-(Pyridin-2-ylmethoxy)phenyl)boronic acid,
ACMC-209az2,
CTK4B4621,
DTXSID80655557,
ANW-18492,
MFCD11183192,
AKOS009318584,
ZINC169922491,
BBV-2090414,
OR361575,
TR-035282,
X1944,
{3-[(Pyridin-2-yl)methoxy]phenyl}boronic acid,
B-2707,
Boronic acid, B-[3-(2-pyridinylmethoxy)phenyl]-,
I04-2901,
C12H12BNO3,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.042g/mol |
| Monoisotopic Mass | 229.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number