2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile - CAS 2246614-97-9
Catalog: |
BB057503 |
Product Name: |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile |
CAS: |
2246614-97-9 |
Synonyms: |
2,6-Dicyanobenzeneboronate Pinacol Ester |
IUPAC Name: | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile |
Description: | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile, is an intermediate used for the synthesis of more complex compounds. |
Molecular Weight: | 254.09 |
Molecular Formula: | C14H15BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2C#N)C#N |
InChI: | InChI=1S/C14H15BN2O2/c1-13(2)14(3,4)19-15(18-13)12-10(8-16)6-5-7-11(12)9-17/h5-7H,1-4H3 |
InChI Key: | BPEKNUDXJSTJBR-UHFFFAOYSA-N |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.1226579 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.1226579 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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