3-Cyano-4-methylphenylboronic acid


Chemical Name: 3-Cyano-4-methylphenylboronic acid
CAS Number: 911210-49-6
Product Number: AG00H1UZ(AGN-PC-0WA8JQ)
Synonyms:
MDL No:
Molecular Formula: C8H8BNO2
Molecular Weight: 160.9656

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
160.967g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
161.065g/mol
Monoisotopic Mass:
161.065g/mol
Topological Polar Surface Area:
64.2A^2
Heavy Atom Count:
12
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:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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