[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid


Chemical Name: [4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid
CAS Number: 945756-49-0
Product Number: AG005WCE(AGN-PC-07B7CE)
Synonyms:
MDL No:
Molecular Formula: C12H18BNO4
Molecular Weight: 251.0866

Identification/Properties


Properties
MP:
157-159°C
BP:
397.6±44.0°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
251.089g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
251.133g/mol
Monoisotopic Mass:
251.133g/mol
Topological Polar Surface Area:
70A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
282
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#:
-
Hazard Statements:
H317
Precautionary Statements:
P261-P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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