| CAS Number | 1416721-79-3 |
| Catalog Number | AG00HW5P(AGN-PC-0WQZZU) |
| Chemical Name | 2-Chloro-4-formylpyridine-5-boronic acid pinacol ester |
| IUPAC Name | 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbaldehyde |
| InChI | InChI=1S/C12H15BClNO3/c1-11(2)12(3,4)18-13(17-11)9-6-15-10(14)5-8(9)7-16/h5-7H,1-4H3 |
| InChI Key | XQDJQRYJJHGRTJ-UHFFFAOYSA-N |
| MDL Number | MFCD18718156 |
| Molecular Formula | C12H15BClNO3 |
| Molecular Weight | 267.5164 |
| SMILES | O=Cc1cc(Cl)ncc1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1416721-79-3,
2-Chloro-4-formylpyridine-5-boronic acid pinacol ester,
2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinaldehyde,
AKOS027439263,
ZINC170007792,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.516g/mol |
| Monoisotopic Mass | 267.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.4A^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