3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester - CAS 1803320-97-9
Catalog: |
BB069518 |
Product Name: |
3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester |
CAS: |
1803320-97-9 |
Synonyms: |
3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester; 2-(3-Chloro-5-(trifluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-Chloro-5-(trifluoromethoxy)phenylboronic acid pinacol ester; 2-[3-CHLORO-5-(TRIFLUOROMETHOXY)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE |
IUPAC Name: | 2-[3-chloro-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-Chloro-5-(trifluoromethoxy)phenylboronic acid, pinacol ester |
Molecular Weight: | 322.52 |
Molecular Formula: | C13H15BClF3O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)OC(F)(F)F |
InChI: | InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)8-5-9(15)7-10(6-8)19-13(16,17)18/h5-7H,1-4H3 |
InChI Key: | JOHLHDNQZYFLBR-UHFFFAOYSA-N |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.0754867 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.0754867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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