Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl](phenylmethyl)amino]sulfonyl]phenyl]-


Chemical Name: Boronicacid, B-[4-[[[(4-methoxyphenyl)methyl](phenylmethyl)amino]sulfonyl]phenyl]-
CAS Number: 913835-95-7
Product Number: AG003BUB(AGN-PC-071387)
Synonyms:
MDL No:
Molecular Formula: C21H22BNO5S
Molecular Weight: 411.2791

Identification/Properties


Properties
MP:
95-98
BP:
632.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
411.279g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
411.131g/mol
Monoisotopic Mass:
411.131g/mol
Topological Polar Surface Area:
95.4A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
574
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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