2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic Acid Pinacol Ester - CAS 1218790-17-0
Catalog: |
BB005278 |
Product Name: |
2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic Acid Pinacol Ester |
CAS: |
1218790-17-0 |
Synonyms: |
4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic Acid Pinacol Ester (CAS# 1218790-17-0) 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=C2F)C)C(=O)OC |
InChI: | InChI=1S/C15H20BFO4/c1-9-7-12(17)11(8-10(9)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3 |
InChI Key: | DRYMURGWBFWGPH-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD13195766 |
LogP: | 2.21990 |
Publication Number | Title | Priority Date |
CN-110957533-A | Low-temperature electrolyte for lithium ion battery | 20191226 |
WO-2019147782-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
AU-2019211382-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
EP-3743430-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
US-2020347071-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
Complexity: | 397 |
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: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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