2-Chloro-3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - CAS 1029654-43-0
Catalog: |
BB069433 |
Product Name: |
2-Chloro-3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
CAS: |
1029654-43-0 |
Synonyms: |
B-(2-Chloro-3-fluoro-4-pyridinyl)-mono(2-hydroxy-1,1,2-trimethylpropyl) Ester Boronic Acid |
IUPAC Name: | 2-chloro-3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Chloro-3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Molecular Weight: | 257.5 |
Molecular Formula: | C11H14BClFNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)F |
InChI: | InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-15-9(13)8(7)14/h5-6H,1-4H3 |
InChI Key: | XKMPFKIWJXXAIG-UHFFFAOYSA-N |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0790147 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0790147 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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