3-Chloro-2-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenylboronic Acid Pinacol Ester - CAS 1799612-11-5
Catalog: |
BB013625 |
Product Name: |
3-Chloro-2-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenylboronic Acid Pinacol Ester |
CAS: |
1799612-11-5 |
Synonyms: |
1-[2-[2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-4-methylpiperazine; 1-[2-[2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-4-methylpiperazine |
IUPAC Name: | 1-[2-[2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-4-methylpiperazine |
Description: | 3-Chloro-2-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenylboronic Acid Pinacol Ester (CAS# 1799612-11-5 ) is a useful research chemical. |
Molecular Weight: | 394.74 |
Molecular Formula: | C20H32ClN2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)OCCN3CCN(CC3)C)Cl)C |
InChI: | InChI=1S/C20H32BClN2O3/c1-15-16(21-26-19(2,3)20(4,5)27-21)7-8-17(18(15)22)25-14-13-24-11-9-23(6)10-12-24/h7-8H,9-14H2,1-6H3 |
InChI Key: | HMIDDRQTTOXSEY-UHFFFAOYSA-N |
LogP: | 2.44960 |
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Complexity: | 484 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 394.2194507 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 394.2194507 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 34.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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