[2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid


Chemical Name: [2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
CAS Number: 849062-11-9
Product Number: AG003BJX(AGN-PC-00UQQ6)
Synonyms:
MDL No:
Molecular Formula: C14H11BClF3O3
Molecular Weight: 330.4945

Identification/Properties


Properties
MP:
138-147°C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
330.494g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
330.044g/mol
Monoisotopic Mass:
330.044g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
357
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:
H413
Precautionary Statements:
P273-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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