| CAS Number | 2096330-16-2 |
| Catalog Number | AG01EHOT |
| Chemical Name | 2-Benzyloxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | (5-methyl-2-phenylmethoxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C13H14BNO3/c1-10-7-12(14(16)17)13(15-8-10)18-9-11-5-3-2-4-6-11/h2-8,16-17H,9H2,1H3 |
| InChI Key | NVGSTMYZWMKVPE-UHFFFAOYSA-N |
| MDL Number | MFCD18914497 |
| Molecular Formula | C13H14BNO3 |
| Molecular Weight | 243.0662 |
| SMILES | Cc1cnc(c(c1)B(O)O)OCc1ccccc1 |
| Synonyms | 2-Benzyloxy-5-methylpyridine-3-boronic acid,
2096330-16-2,
(2-(Benzyloxy)-5-methylpyridin-3-yl)boronic acid,
MFCD18914497,
ZINC169951575,
Y2259,
A-3041,
C13H14BNO3,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.069g/mol |
| Monoisotopic Mass | 243.107g/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