| CAS Number | 915070-52-9 |
| Catalog Number | AG003JBO(AGN-PC-0WA8J0) |
| Chemical Name | 3-chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine |
| IUPAC Name | 3-chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine |
| InChI | InChI=1S/C10H13BClNO2/c1-10(2)6-14-11(15-7-10)8-3-4-13-5-9(8)12/h3-5H,6-7H2,1-2H3 |
| InChI Key | FZBSYLRGRQBBQS-UHFFFAOYSA-N |
| MDL Number | MFCD06796314 |
| Molecular Formula | C10H13BClNO2 |
| Molecular Weight | 225.4797 |
| SMILES | CC1(C)COB(C2=C(Cl)C=NC=C2)OC1 |
| Synonyms | 3-Chloro-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine,
915070-52-9,
3-CHLOROPYRIDINE-4-BORONIC ACID, NEOPENTYL GLYCOL ESTER,
SCHEMBL4211029,
CTK6H3694,
DTXSID00629619,
ZX-AT002815,
KM3021,
MFCD06796314,
AKOS004119287,
ZINC169794692,
AB29388,
FCH1679587,
OR13217,
PS-9731,
3-Chloropyridine-4-boronic acid neopentyl glycol ester,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.479g/mol |
| Monoisotopic Mass | 225.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31.4A^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