3-Fluoro-4-formylphenylboronic Acid Pinacol Ester - CAS 503176-50-9
Catalog: |
BB027004 |
Product Name: |
3-Fluoro-4-formylphenylboronic Acid Pinacol Ester |
CAS: |
503176-50-9 |
Synonyms: |
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 3-Fluoro-4-formylphenylboronic Acid Pinacol Ester (CAS# 503176-50-9) is a useful research chemical. |
Molecular Weight: | 250.07 |
Molecular Formula: | C13H16FO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C=O)F |
InChI: | InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-8H,1-4H3 |
InChI Key: | IIFHCQXSBTZOCF-UHFFFAOYSA-N |
MDL: | MFCD16036135 |
LogP: | 1.93740 |
Publication Number | Title | Priority Date |
US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
TW-202039502-A | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
KR-20210116488-A | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 20181220 |
KR-101876018-B1 | Novel compound and solar cell including the same | 20160429 |
KR-20170124005-A | Novel compound and solar cell including the same | 20160429 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1176527 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1176527 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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