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Home > Boronic Acids > 912369-50-7
912369-50-7 | 4-Piperazinylphenylboronic acid, pinacol ester
CAS No: 912369-50-7 Catalog No: AG006DGE MDL No:MFCD06795649
Product Description
Catalog Number:
AG006DGE
Chemical Name:
4-Piperazinylphenylboronic acid, pinacol ester
CAS Number:
912369-50-7
Molecular Formula:
C16H25BN2O2
Molecular Weight:
288.1929
MDL Number:
MFCD06795649
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)19-11-9-18-10-12-19/h5-8,18H,9-12H2,1-4H3
InChI Key:
KARUXRFAVXKQFZ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCNCC1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.201g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.198g/mol
Monoisotopic Mass:
288.201g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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