4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronicAcidPinacolEster


Chemical Name: 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronicAcidPinacolEster
CAS Number: 756520-72-6
Product Number: AG00ICNH(AGN-PC-0WAM3V)
Synonyms:
MDL No: MFCD26937568
Molecular Formula: C15H22BNO4S
Molecular Weight: 323.2155

Identification/Properties


Computed Properties
Molecular Weight:
323.214g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
323.136g/mol
Monoisotopic Mass:
323.136g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
504
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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