4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester - CAS 1683545-35-8
Catalog: |
BB065962 |
Product Name: |
4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester |
CAS: |
1683545-35-8 |
Synonyms: |
Ethyl 2,2-Difluoro-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate; 4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester; 4-(Ethoxycarbonyldifluoromethyl)-phenyl-boronic acid pinacol ester; ETHYL 2,2-DIFLUORO-2-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATE; Ethyl 2,2-difluoro-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
IUPAC Name: | ethyl 2,2-difluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
Description: | 4-(Ethoxycarbonyldifluoromethyl)phenylboronic acid pinacol ester |
Molecular Weight: | 326.14 |
Molecular Formula: | C16H21BF2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(=O)OCC)(F)F |
InChI: | InChI=1S/C16H21BF2O4/c1-6-21-13(20)16(18,19)11-7-9-12(10-8-11)17-22-14(2,3)15(4,5)23-17/h7-10H,6H2,1-5H3 |
InChI Key: | BLKXMWVVPMNZCZ-UHFFFAOYSA-N |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.1500956 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.1500956 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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