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Home > Boronic Acids > 1026796-82-6
1026796-82-6 | 2-{4-[(difluoromethyl)sulfanyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1026796-82-6 Catalog No: AG01B8JW MDL No:MFCD22718112
Product Description
Catalog Number:
AG01B8JW
Chemical Name:
2-{4-[(difluoromethyl)sulfanyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1026796-82-6
Molecular Formula:
C13H17BF2O2S
Molecular Weight:
286.1457
MDL Number:
MFCD22718112
IUPAC Name:
2-[4-(difluoromethylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BF2O2S/c1-12(2)13(3,4)18-14(17-12)9-5-7-10(8-6-9)19-11(15)16/h5-8,11H,1-4H3
InChI Key:
QSALDQKWDOUGAF-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.144g/mol
Monoisotopic Mass:
286.101g/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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