Boronic acid, (5-cyano-2-methoxyphenyl)-


Chemical Name: Boronic acid, (5-cyano-2-methoxyphenyl)-
CAS Number: 612833-37-1
Product Number: AG00EBO9(AGN-PC-03X8KT)
Synonyms:
MDL No: MFCD06801691
Molecular Formula: C8H8BNO3
Molecular Weight: 176.9650

Identification/Properties


Properties
MP:
211-212°
BP:
412.4±55.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.966g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
177.06g/mol
Monoisotopic Mass:
177.06g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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