| CAS Number | 1987879-17-3 |
| Catalog Number | AG00I3O2(AGN-PC-0WOH79) |
| Chemical Name | 2-Allyloxy-3-chloropyridine-4-boronic acid |
| IUPAC Name | (3-chloro-2-prop-2-enoxypyridin-4-yl)boronic acid |
| InChI | InChI=1S/C8H9BClNO3/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h2-4,12-13H,1,5H2 |
| InChI Key | CNPGUURWDPSOMO-UHFFFAOYSA-N |
| MDL Number | MFCD21609522 |
| Molecular Formula | C8H9BClNO3 |
| Molecular Weight | 213.4260 |
| SMILES | OB(c1ccnc(c1Cl)OCC=C)O |
| Synonyms | 2-Allyloxy-3-chloropyridine-4-boronic acid,
(2-(Allyloxy)-3-chloropyridin-4-yl)boronic acid,
1987879-17-3,
MFCD21609522,
ZINC169964727,
CS-0083232,
Y2250,
B-9449,
C8H9BClNO3,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.424g/mol |
| Monoisotopic Mass | 213.036g/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