3-Cyano-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 1352413-06-9
Catalog: |
BB008111 |
Product Name: |
3-Cyano-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
1352413-06-9 |
Synonyms: |
3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-Cyano-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 1352413-06-9) is a useful research chemical. |
Molecular Weight: | 287.12 |
Molecular Formula: | C15H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C#N |
InChI: | InChI=1S/C15H18BNO4/c1-14(2)15(3,4)21-16(20-14)12-7-10(9-17)6-11(8-12)13(18)19-5/h6-8H,1-5H3 |
InChI Key: | ZZJCILVEJIMZHG-UHFFFAOYSA-N |
LogP: | 1.64408 |
Publication Number | Title | Priority Date |
US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191016 |
WO-2018151239-A1 | 3, 6-DIHYDRO-2H-FURO[2, 3-e]INDOLE COMPOUND | 20170217 |
WO-2018151240-A1 | 3,6,7,8-TETRAHYDROCYCLOPENTA[e]INDOLE COMPOUND | 20170217 |
TW-201446767-A | Pyrrolotriazine derivative as a phospholipid inositol 3-kinase inhibitor | 20130215 |
Complexity: | 452 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.1328882 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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