4-Fluoro-2-[(4-methyl-1-piperazinyl)methyl]phenylboronic Acid Pinacol Ester Dihydrochloride - CAS 2096340-30-4
Catalog: |
BB016464 |
Product Name: |
4-Fluoro-2-[(4-methyl-1-piperazinyl)methyl]phenylboronic Acid Pinacol Ester Dihydrochloride |
CAS: |
2096340-30-4 |
Synonyms: |
1-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine;dihydrochloride; 1-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine;dihydrochloride |
IUPAC Name: | 1-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine;dihydrochloride |
Description: | 4-Fluoro-2-[(4-methyl-1-piperazinyl)methyl]phenylboronic Acid Pinacol Ester Dihydrochloride (CAS# 2096340-30-4 ) is a useful research chemical. |
Molecular Weight: | 407.16 |
Molecular Formula: | C18H30Cl2FN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)CN3CCN(CC3)C.Cl.Cl |
InChI: | InChI=1S/C18H28BFN2O2.2ClH/c1-17(2)18(3,4)24-19(23-17)16-7-6-15(20)12-14(16)13-22-10-8-21(5)9-11-22;;/h6-7,12H,8-11,13H2,1-5H3;2*1H |
InChI Key: | MTLWKRZFUAKBTM-UHFFFAOYSA-N |
Complexity: | 425 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 406.1761418999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 406.1761418999999 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 24.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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