3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid


Chemical Name: 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number: 377780-80-8
Product Number: AG00BXI4(AGN-PC-0KU0CY)
Synonyms:
MDL No:
Molecular Formula: C13H16BNO6
Molecular Weight: 293.0802

Identification/Properties


Properties
MP:
246-250℃
BP:
451.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
293.082g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
293.107g/mol
Monoisotopic Mass:
293.107g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
430
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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