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Home > Boronic Acids > 1218790-07-8
1218790-07-8 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)-2-(trifluoromethyl)phenyl]-
CAS No: 1218790-07-8 Catalog No: AG001680 MDL No:MFCD13195761
Product Description
Catalog Number:
AG001680
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)-2-(trifluoromethyl)phenyl]-
CAS Number:
1218790-07-8
Molecular Formula:
C20H22BF3O3
Molecular Weight:
378.1931
MDL Number:
MFCD13195761
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-phenylmethoxy-2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C20H22BF3O3/c1-18(2)19(3,4)27-21(26-18)17-11-10-15(12-16(17)20(22,23)24)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChI Key:
JRYFOOSOBHSJOP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1C(F)(F)F)OCc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.161g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.198g/mol
Monoisotopic Mass:
378.161g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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