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Home > Boronic Acids > 886528-42-3
886528-42-3 | 4-(2,2,2-Trifluoroethoxy)phenylboronic acid pinacol ester
CAS No: 886528-42-3 Catalog No: AG00H32J MDL No:MFCD22418017
Product Description
Catalog Number:
AG00H32J
Chemical Name:
4-(2,2,2-Trifluoroethoxy)phenylboronic acid pinacol ester
CAS Number:
886528-42-3
Molecular Formula:
C14H18BF3O3
Molecular Weight:
302.0971
MDL Number:
MFCD22418017
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-5-7-11(8-6-10)19-9-14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:
FMASTXATFLPSON-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.1g/mol
Monoisotopic Mass:
302.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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