Home Boronic acids 4-(Trifluoromethyl)benzylboronic acid pinacol ester

4-(Trifluoromethyl)benzylboronic acid pinacol ester

CAS No.:
475250-46-5
Catalog Number:
AG00DBMM
Molecular Formula:
C14H18BF3O2
Molecular Weight:
286.0977
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Product Description
Catalog Number:
AG00DBMM
Chemical Name:
4-(Trifluoromethyl)benzylboronic acid pinacol ester
CAS Number:
475250-46-5
Molecular Formula:
C14H18BF3O2
Molecular Weight:
286.0977
MDL Number:
MFCD10698521
IUPAC Name:
4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:
KHVVNJIGKHWRRS-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CB1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.135g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.101g/mol
Monoisotopic Mass:
286.135g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties