[3-(2-cyanoethyl)phenyl]boronic acid


Chemical Name: [3-(2-cyanoethyl)phenyl]boronic acid
CAS Number: 1218790-58-9
Product Number: AG00169M(AGN-PC-09PYYT)
Synonyms:
MDL No:
Molecular Formula: C9H10BNO2
Molecular Weight: 174.9922

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
174.994g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
175.08g/mol
Monoisotopic Mass:
175.08g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
199
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P264-P270-P301+P310+P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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