4-Cyano-3,5-difluorophenylboronic Acid Pinacol Ester - CAS 1003298-73-4
Catalog: |
BB000176 |
Product Name: |
4-Cyano-3,5-difluorophenylboronic Acid Pinacol Ester |
CAS: |
1003298-73-4 |
Synonyms: |
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 4-Cyano-3,5-difluorophenylboronic Acid Pinacol Ester (CAS# 1003298-73-4) is a useful research chemical. |
Molecular Weight: | 265.06 |
Molecular Formula: | C13H14F2NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)C#N)F |
InChI: | InChI=1S/C13H14BF2NO2/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9(7-17)11(16)6-8/h5-6H,1-4H3 |
InChI Key: | XYMVJTWEERDWFY-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD22419275 |
LogP: | 2.13568 |
Publication Number | Title | Priority Date |
KR-20200139715-A | Composition of materials for use in organic light emitting diodes | 20180330 |
US-2021135119-A1 | Composition of matter for use in organic light-emitting diodes | 20180330 |
JP-2021519765-A | Compositions used for organic light emitting diodes | 20180330 |
EP-3635070-A1 | Organic molecules, in particular for use in optoelectronic devices | 20170606 |
KR-20200010407-A | Organic molecules, especially organic molecules for use in optoelectronic devices | 20170606 |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.1085652 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.1085652 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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