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1026796-07-5 | Trifluoromethylthio-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzene
CAS No: 1026796-07-5 Catalog No: AG008U0W MDL No:MFCD11042447
Product Description
Catalog Number:
AG008U0W
Chemical Name:
Trifluoromethylthio-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzene
CAS Number:
1026796-07-5
Molecular Formula:
C13H16BF3O2S
Molecular Weight:
304.1361
MDL Number:
MFCD11042447
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(trifluoromethylsulfanyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O2S/c1-11(2)12(3,4)19-14(18-11)9-6-5-7-10(8-9)20-13(15,16)17/h5-8H,1-4H3
InChI Key:
KUSAKFDXTLNMCN-UHFFFAOYSA-N
SMILES:
FC(Sc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
344
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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