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Home > Boronic Acids > 475250-54-5
475250-54-5 | 2-(Trifluoromethyl)benzylboronic acid pinacol ester
CAS No: 475250-54-5 Catalog No: AG00DBML MDL No:MFCD10698525
Product Description
Catalog Number:
AG00DBML
Chemical Name:
2-(Trifluoromethyl)benzylboronic acid pinacol ester
CAS Number:
475250-54-5
Molecular Formula:
C14H18BF3O2
Molecular Weight:
286.0977
MDL Number:
MFCD10698525
IUPAC Name:
4,4,5,5-tetramethyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-7-5-6-8-11(10)14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:
FBUQCNKMNNXCHY-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)Cc1ccccc1C(F)(F)F
Properties
Complexity:
339
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
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