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Home > Boronic Acids > 1218790-37-4
1218790-37-4 | 1,3,2-Dioxaborolane, 2-[4-methoxy-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1218790-37-4 Catalog No: AG00168Q MDL No:MFCD09746197
Product Description
Catalog Number:
AG00168Q
Chemical Name:
1,3,2-Dioxaborolane, 2-[4-methoxy-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1218790-37-4
Molecular Formula:
C14H18BF3O3
Molecular Weight:
302.0971
MDL Number:
MFCD09746197
IUPAC Name:
2-[4-methoxy-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)11-7-6-9(19-5)8-10(11)14(16,17)18/h6-8H,1-5H3
InChI Key:
UMINCCFVGWEDEU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
368
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:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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