3-Amino-5-chloro-2-fluorophenylboronic Acid Pinacol Ester - CAS 1269232-96-3
Catalog: |
BB006704 |
Product Name: |
3-Amino-5-chloro-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1269232-96-3 |
Synonyms: |
5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Amino-5-chloro-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1269232-96-3 ) is a useful research chemical. |
Molecular Weight: | 271.52 |
Molecular Formula: | C12H16ClFNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)N)Cl |
InChI: | InChI=1S/C12H16BClFNO2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(16)10(8)15/h5-6H,16H2,1-4H3 |
InChI Key: | WFFDTMNHOINATE-UHFFFAOYSA-N |
LogP: | 2.94170 |
Publication Number | Title | Priority Date |
US-2020407344-A1 | Compounds for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020261156-A1 | Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2014182873-A1 | Furanone compounds as kinase inhibitors | 20130508 |
AU-2010286569-A1 | Compounds and compositions as protein kinase inhibitors | 20090828 |
AU-2010286569-B2 | Compounds and compositions as protein kinase inhibitors | 20090828 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0946648 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0946648 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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