3-(N-Ethylaminocarbonyl)phenylboronic acid pinacol ester - CAS 943911-67-9
Catalog: |
BB065868 |
Product Name: |
3-(N-Ethylaminocarbonyl)phenylboronic acid pinacol ester |
CAS: |
943911-67-9 |
Synonyms: |
3-(N-Ethylaminocarbonyl)phenylboronic acid pinacol ester; N-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | N-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 3-(N-Ethylaminocarbonyl)phenylboronic acid pinacol ester |
Molecular Weight: | 275.15 |
Molecular Formula: | C15H22BNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCC |
InChI: | InChI=1S/C15H22BNO3/c1-6-17-13(18)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3,(H,17,18) |
InChI Key: | BXWWIHDUPXJEHQ-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1692737 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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