3-cyano-4-isopropoxyphenylboronic acid


Chemical Name: 3-cyano-4-isopropoxyphenylboronic acid
CAS Number: 1009303-59-6
Product Number: AG00037Y(AGN-PC-086DL7)
Synonyms:
MDL No:
Molecular Formula: C10H12BNO3
Molecular Weight: 205.0182

Identification/Properties


Computed Properties
Molecular Weight:
205.02g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
205.091g/mol
Monoisotopic Mass:
205.091g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
248
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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