4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester - CAS 1333122-75-0
Catalog: |
BB067703 |
Product Name: |
4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester |
CAS: |
1333122-75-0 |
Synonyms: |
Methyl 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; 4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester; 2-(METHOXYCARBONYL)-4,5-DIFLUOROPHENYLBORONIC ACID PINACOL ESTER |
IUPAC Name: | methyl 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester |
Molecular Weight: | 298.09 |
Molecular Formula: | C14H17BF2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C(=O)OC)F)F |
InChI: | InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)9-7-11(17)10(16)6-8(9)12(18)19-5/h6-7H,1-5H3 |
InChI Key: | JFKWYMUPUWCUSK-UHFFFAOYSA-N |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.1187955 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.1187955 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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