200,000+ products from a single source!

sales@angenechem.com

Home > Boronic Acids > 1033743-83-7

1033743-83-7

1033743-83-7 | 3-(4-Boc-Piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester

CAS No: 1033743-83-7 Catalog No: AG008USF MDL No:MFCD19288883

Product Description

Catalog Number:
AG008USF
Chemical Name:
3-(4-Boc-Piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
CAS Number:
1033743-83-7
Molecular Formula:
C21H33BN2O6S
Molecular Weight:
452.3725
MDL Number:
MFCD19288883
IUPAC Name:
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
InChI:
InChI=1S/C21H33BN2O6S/c1-19(2,3)28-18(25)23-11-13-24(14-12-23)31(26,27)17-10-8-9-16(15-17)22-29-20(4,5)21(6,7)30-22/h8-10,15H,11-14H2,1-7H3
InChI Key:
HICZDEKCDZHGNK-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Properties

Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.215g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.373g/mol
Monoisotopic Mass:
452.215g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

© 2019 Angene International Limited. All rights Reserved.