2-Amino-4-fluorophenylboronic Acid Pinacol Ester - CAS 1309982-16-8
Catalog: |
BB007220 |
Product Name: |
2-Amino-4-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1309982-16-8 |
Synonyms: |
5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 2-Amino-4-fluorophenylboronic Acid Pinacol Ester (CAS# 1309982-16-8) 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=C(C=C2)F)N |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,15H2,1-4H3 |
InChI Key: | URCVTWMYLLPYQY-UHFFFAOYSA-N |
LogP: | 2.28830 |
Publication Number | Title | Priority Date |
US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
US-11090304-B2 | KRAS G12C inhibitors and methods of using the same | 20180504 |
WO-2018221433-A1 | Heteroaryl amine derivative | 20170529 |
JP-2018532735-A | Novel modified macrocycles | 20151008 |
US-10214542-B2 | Modified macrocyclic compounds | 20151008 |
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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