Boronic acid,[4-[(1E)-2-nitroethenyl]phenyl]- (9CI)


Chemical Name: Boronic acid,[4-[(1E)-2-nitroethenyl]phenyl]- (9CI)
CAS Number: 216394-04-6
Product Number: AG003C01(AGN-PC-0QY7QF)
Synonyms:
MDL No:
Molecular Formula: C8H8BNO4
Molecular Weight: 192.9644

Identification/Properties


Properties
MP:
289-291°C
BP:
412.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
192.965g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
193.055g/mol
Monoisotopic Mass:
193.055g/mol
Topological Polar Surface Area:
86.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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