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Home > Boronic Acids > 1622217-15-5
1622217-15-5 | 6-Trifluoromethylpyridine-2,4-diboronic acid, pinacol ester
CAS No: 1622217-15-5 Catalog No: AG00HYQF MDL No:MFCD18914527
Product Description
Catalog Number:
AG00HYQF
Chemical Name:
6-Trifluoromethylpyridine-2,4-diboronic acid, pinacol ester
CAS Number:
1622217-15-5
Molecular Formula:
C18H26B2F3NO4
Molecular Weight:
399.0205
MDL Number:
MFCD18914527
IUPAC Name:
2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
InChI:
InChI=1S/C18H26B2F3NO4/c1-14(2)15(3,4)26-19(25-14)11-9-12(18(21,22)23)24-13(10-11)20-27-16(5,6)17(7,8)28-20/h9-10H,1-8H3
InChI Key:
WYXSJKWEYULIFJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(n1)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.024g/mol
Monoisotopic Mass:
399.2g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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