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Home > Boronic Acids > 1005206-25-6
1005206-25-6 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)thio]phenyl]-
CAS No: 1005206-25-6 Catalog No: AG00028V MDL No:MFCD11042448
Product Description
Catalog Number:
AG00028V
Chemical Name:
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)thio]phenyl]-
CAS Number:
1005206-25-6
Molecular Formula:
C13H16BF3O2S
Molecular Weight:
304.1361
MDL Number:
MFCD11042448
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfanyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O2S/c1-11(2)12(3,4)19-14(18-11)9-5-7-10(8-6-9)20-13(15,16)17/h5-8H,1-4H3
InChI Key:
RSMWGZJSATWLMH-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.134g/mol
Monoisotopic Mass:
304.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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