| CAS Number | 1220219-63-5 |
| Catalog Number | AG00HGL0(AGN-PC-0WNO29) |
| Chemical Name | 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile |
| IUPAC Name | 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)8-5-9(14)10(6-15)16-7-8/h5,7H,1-4H3 |
| InChI Key | NSDGGJWBPMKOJP-UHFFFAOYSA-N |
| MDL Number | MFCD16995199 |
| Molecular Formula | C12H14BClN2O2 |
| Molecular Weight | 264.5158 |
| SMILES | ClC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)C#N |
| Synonyms | 3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE,
1220219-63-5,
SCHEMBL13089496,
AKOS025293573,
ZINC170002802,
FCH2775703,
MB17562,
OR361000,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.516g/mol |
| Monoisotopic Mass | 264.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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