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Home > Boronic Acids > 1073354-18-3
1073354-18-3 | 4-(4-Isopropylpiperizinyl)phenylboronic acid, pinacol ester
CAS No: 1073354-18-3 Catalog No: AG007ENJ MDL No:MFCD06795656
Product Description
Catalog Number:
AG007ENJ
Chemical Name:
4-(4-Isopropylpiperizinyl)phenylboronic acid, pinacol ester
CAS Number:
1073354-18-3
Molecular Formula:
C19H31BN2O2
Molecular Weight:
330.2726
MDL Number:
MFCD06795656
IUPAC Name:
1-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C19H31BN2O2/c1-15(2)21-11-13-22(14-12-21)17-9-7-16(8-10-17)20-23-18(3,4)19(5,6)24-20/h7-10,15H,11-14H2,1-6H3
InChI Key:
CSORKGLMGUQQOY-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.248g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.279g/mol
Monoisotopic Mass:
330.248g/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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