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Home > Fluorides > 128373-13-7
128373-13-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 1H-indol-5-yl ester
CAS No: 128373-13-7 Catalog No: AG000Y1N MDL No:
Product Description
Catalog Number:
AG000Y1N
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1H-indol-5-yl ester
CAS Number:
128373-13-7
Molecular Formula:
C9H6F3NO3S
Molecular Weight:
265.2090
IUPAC Name:
1H-indol-5-yl trifluoromethanesulfonate
InChI:
InChI=1S/C9H6F3NO3S/c10-9(11,12)17(14,15)16-7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChI Key:
BUGATQSIGUQQSV-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)cc[nH]2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.206g/mol
Monoisotopic Mass:
265.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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