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Home > Boronic Acids > 1026797-07-8
1026797-07-8 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-[(2,2,2-trifluoroethyl)thio]phenyl]-
CAS No: 1026797-07-8 Catalog No: AG000833 MDL No:MFCD11520054
Product Description
Catalog Number:
AG000833
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-[(2,2,2-trifluoroethyl)thio]phenyl]-
CAS Number:
1026797-07-8
Molecular Formula:
C14H18BF3O2S
Molecular Weight:
318.1627
MDL Number:
MFCD11520054
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H18BF3O2S/c1-12(2)13(3,4)20-15(19-12)10-6-5-7-11(8-10)21-9-14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:
KSZBRQNNLBTYTB-UHFFFAOYSA-N
SMILES:
FC(CSc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.161g/mol
Monoisotopic Mass:
318.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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