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Home > Boronic Acids > 656257-45-3
656257-45-3 | 4-(4-Ethylpiperazin-1-yl)-phenylboronicacidpinacolester
CAS No: 656257-45-3 Catalog No: AG00FFBG MDL No:MFCD13190738
Product Description
Catalog Number:
AG00FFBG
Chemical Name:
4-(4-Ethylpiperazin-1-yl)-phenylboronicacidpinacolester
CAS Number:
656257-45-3
Molecular Formula:
C18H29BN2O2
Molecular Weight:
316.2461
MDL Number:
MFCD13190738
IUPAC Name:
1-ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C18H29BN2O2/c1-6-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-22-17(2,3)18(4,5)23-19/h7-10H,6,11-14H2,1-5H3
InChI Key:
OSJYTVPEVGWXNG-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.232g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.252g/mol
Monoisotopic Mass:
316.232g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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