3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester - CAS 1803321-00-7
Catalog: |
BB069015 |
Product Name: |
3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester |
CAS: |
1803321-00-7 |
Synonyms: |
3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzonitrile; 3-Cyano-5-(trifluoromethoxy)phenylboronic acid pinacol ester |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzonitrile |
Description: | 3-Cyano-5-(trifluoromethoxy)phenylboronic acid, pinacol ester |
Molecular Weight: | 313.08 |
Molecular Formula: | C14H15BF3NO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)(F)F)C#N |
InChI: | InChI=1S/C14H15BF3NO3/c1-12(2)13(3,4)22-15(21-12)10-5-9(8-19)6-11(7-10)20-14(16,17)18/h5-7H,1-4H3 |
InChI Key: | MJJRQGMWICLSNN-UHFFFAOYSA-N |
Complexity: | 456 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.109708 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.109708 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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