5-Chloro-2-fluorophenylboronic Acid Pinacol Ester - CAS 1190129-77-1
Catalog: |
BB004366 |
Product Name: |
5-Chloro-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1190129-77-1 |
Synonyms: |
2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(5-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 5-Chloro-2-fluorophenylboronic Acid, Pinacol Ester acts as a reagent for the preparation of substituted pyridinamines as Stk4 inhibitors for treatment of hematologic malignancies, preparation of FASN inhibitors useful for treatment of cancer and other diseases, design and application of low-temperature continuous flow chemistry platform. |
Molecular Weight: | 256.51 |
Molecular Formula: | C12H15ClFO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)F |
InChI: | InChI=1S/C12H15BClFO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,1-4H3 |
InChI Key: | BFXSWDUFRGWPCA-UHFFFAOYSA-N |
MDL: | MFCD16036133 |
LogP: | 2.77830 |
Publication Number | Title | Priority Date |
EP-3680239-A1 | Phenazine compounds for optoelectronic devices | 20190110 |
US-2020223831-A1 | Organic molecules for optoelectronic devices | 20190110 |
WO-2020043483-A1 | Organic molecules for optoelectronic devices | 20180830 |
CN-112601797-A | Organic molecules for optoelectronic devices | 20180830 |
EP-3844245-A1 | Organic molecules for optoelectronic devices | 20180830 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0837657 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0837657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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