3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile - CAS 935685-88-4
Catalog: |
BB064840 |
Product Name: |
3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile |
CAS: |
935685-88-4 |
Synonyms: |
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-Fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile; 3-CYANO-5-FLUOROPHENYLBORONIC ACID PINACOL ESTER; 3-CYANO-5-FLUOROBENZENEBORONIC ACID PINACOL ESTER; 3-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Molecular Weight: | 247.07 |
Molecular Formula: | C13H15BFNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)C#N |
InChI: | InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3 |
InChI Key: | WWDTYZLFIFQZDE-UHFFFAOYSA-N |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.117987 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.117987 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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