5-Amino-2-fluorophenylboronic Acid Pinacol Ester - CAS 1152441-29-6
Catalog: |
BB003515 |
Product Name: |
5-Amino-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1152441-29-6 |
Synonyms: |
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 5-Amino-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1152441-29-6) is a useful research chemical. |
Molecular Weight: | 237.08 |
Molecular Formula: | C12H17FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)F |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7H,15H2,1-4H3 |
InChI Key: | FBZFLAGIPHQJBF-UHFFFAOYSA-N |
Appearance: | Off-white solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
LogP: | 2.28830 |
Publication Number | Title | Priority Date |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
AU-2014337064-A1 | Bromodomain inhibitors | 20131018 |
CN-105828820-B | Bromodomain inhibitors | 20131018 |
EP-3057586-B1 | Bromodomain inhibitors | 20131018 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1336371 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1336371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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