| CAS Number | 1228180-82-2 |
| Catalog Number | AG000JJL(AGN-PC-0WA9N2) |
| Chemical Name | Boronic acid, B-[4-(2-pyridinylmethoxy)phenyl]- |
| IUPAC Name | [4-(pyridin-2-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H12BNO3/c15-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-14-11/h1-8,15-16H,9H2 |
| InChI Key | YOGVLRUOICMIRG-UHFFFAOYSA-N |
| MDL Number | MFCD11183178 |
| Molecular Formula | C12H12BNO3 |
| Molecular Weight | 229.0396 |
| SMILES | OB(C1=CC=C(OCC2=NC=CC=C2)C=C1)O |
| Synonyms | 1228180-82-2,
4-(PYRIDIN-2-YLMETHOXY)PHENYLBORONIC ACID,
[4-(pyridin-2-ylmethoxy)phenyl]boronic acid,
(4-(Pyridin-2-ylmethoxy)phenyl)boronic acid,
CTK4B3277,
DTXSID20655551,
MFCD11183178,
AKOS009318398,
ZINC169922453,
NE38463,
[4-(pyridin-2-ylmethoxy)phenyl]boranediol,
TR-034980,
X1788,
EN300-80750,
{4-[(Pyridin-2-yl)methoxy]phenyl}boronic acid,
Boronic acid, B-[4-(2-pyridinylmethoxy)phenyl]-,
4-(2-Pyridinylmethoxy)phenylboronic acid, AldrichCPR,
C12H12BNO3,
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| Complexity | 220 |
| 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
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Certificate of Analysis
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