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Home > Fluorides > 877264-48-7
877264-48-7 | Benzo[b]thiophen-6-yl trifluoromethanesulfonate
CAS No: 877264-48-7 Catalog No: AG004GB9 MDL No:MFCD12911769
Product Description
Catalog Number:
AG004GB9
Chemical Name:
Benzo[b]thiophen-6-yl trifluoromethanesulfonate
CAS Number:
877264-48-7
Molecular Formula:
C9H5F3O3S2
Molecular Weight:
282.2594
MDL Number:
MFCD12911769
IUPAC Name:
1-benzothiophen-6-yl trifluoromethanesulfonate
InChI:
InChI=1S/C9H5F3O3S2/c10-9(11,12)17(13,14)15-7-2-1-6-3-4-16-8(6)5-7/h1-5H
InChI Key:
ZDGDNIGWXSGNOV-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)scc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.963g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.251g/mol
Monoisotopic Mass:
281.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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