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Home > Boronic Acids > 69807-91-6
69807-91-6 | 3,5-Bis(trifluoroMethyl)phenylboronic acid pinacol ester
CAS No: 69807-91-6 Catalog No: AG00FB6J MDL No:MFCD12405516
Product Description
Catalog Number:
AG00FB6J
Chemical Name:
3,5-Bis(trifluoroMethyl)phenylboronic acid pinacol ester
CAS Number:
69807-91-6
Molecular Formula:
C14H15BF6O2
Molecular Weight:
340.0691
MDL Number:
MFCD12405516
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H15BF6O2/c1-11(2)12(3,4)23-15(22-11)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h5-7H,1-4H3
InChI Key:
GGMXSSNJKVWXMD-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.072g/mol
Monoisotopic Mass:
340.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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