3-Fluoro-4-(2-methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester - CAS 1415960-53-0
Catalog: |
BB009198 |
Product Name: |
3-Fluoro-4-(2-methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1415960-53-0 |
Synonyms: |
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid methyl ester; methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
IUPAC Name: | methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
Description: | 3-Fluoro-4-(2-methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester (CAS# 1415960-53-0) is a useful research chemical. |
Molecular Weight: | 294.13 |
Molecular Formula: | C15H20FO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC(=O)OC)F |
InChI: | InChI=1S/C15H20BFO4/c1-14(2)15(3,4)21-16(20-14)11-7-6-10(12(17)9-11)8-13(18)19-5/h6-7,9H,8H2,1-5H3 |
InChI Key: | MMANYAVWRYOHTI-UHFFFAOYSA-N |
LogP: | 1.84040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020407347-A1 | Glucagon-like peptide1 receptor agonists | 20190628 |
US-10160747-B2 | Compounds and methods for kinase modulation, and indications therefor | 20160316 |
US-2017267660-A1 | Compounds and methods for kinase modulation, and indications therefor | 20160316 |
CA-2960768-A1 | Pyridone derivatives as rearranged during transfection (ret) kinase inhibitors | 20140910 |
CN-107074768-B | Pyridone derivatives as inhibitors of transfection Rearrangement (RET) kinase | 20140910 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.1438674 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.1438674 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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