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Home > Boronic Acids > 881401-96-3
881401-96-3 | 4,4,5,5-TETRAMETHYL-2-(2,3,4-TRIFLUOROPHENYL)-1,3,2-DIOXABOROLANE
CAS No: 881401-96-3 Catalog No: AG004F2H MDL No:
Product Description
Catalog Number:
AG004F2H
Chemical Name:
4,4,5,5-TETRAMETHYL-2-(2,3,4-TRIFLUOROPHENYL)-1,3,2-DIOXABOROLANE
CAS Number:
881401-96-3
Molecular Formula:
C12H14BF3O2
Molecular Weight:
258.0446
IUPAC Name:
4,4,5,5-tetramethyl-2-(2,3,4-trifluorophenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(14)10(16)9(7)15/h5-6H,1-4H3
InChI Key:
WGJSFBJRRRTEHG-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c(c1F)F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.047g/mol
Monoisotopic Mass:
258.104g/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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