3-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester


Chemical Name: 3-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
CAS Number: 1033743-83-7
Product Number: AG008USF(AGN-PC-0WQX33)
Synonyms:
MDL No: MFCD19288883
Molecular Formula: C21H33BN2O6S
Molecular Weight: 452.3725

Identification/Properties


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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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