4-Trifluoromethyl-trans-beta-styrylboronic acid pinacol ester


Chemical Name: 4-Trifluoromethyl-trans-beta-styrylboronic acid pinacol ester
CAS Number: 1242770-50-8
Product Number: AG000LS3(AGN-PC-0WAAO2)
Synonyms:
MDL No:
Molecular Formula: C15H18BF3O2
Molecular Weight: 298.1084

Identification/Properties


Computed Properties
Molecular Weight:
298.112g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
298.135g/mol
Monoisotopic Mass:
298.135g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
380
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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