3-Choloro-4-isoproxyphenylboronic acid pinacol ester - CAS 1260023-79-7
Catalog: |
BB069516 |
Product Name: |
3-Choloro-4-isoproxyphenylboronic acid pinacol ester |
CAS: |
1260023-79-7 |
Synonyms: |
3-Chloro-4-isopropoxyphenylboronic acid pinacol ester; 2-(3-Chloro-4-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-Choloro-4-isoproxyphenylboronic acid pinacol ester; 2-(3-chloro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Cobalt(II) tetrafluoroborate xhydrate |
IUPAC Name: | 2-(3-chloro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-Choloro-4-isoproxyphenylboronic acid pinacol ester |
Molecular Weight: | 296.6 |
Molecular Formula: | C15H22BClO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(C)C)Cl |
InChI: | InChI=1S/C15H22BClO3/c1-10(2)18-13-8-7-11(9-12(13)17)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3 |
InChI Key: | ZEXZSHQHMWCQCI-UHFFFAOYSA-N |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.1350524 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.1350524 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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