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17763-69-8 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-formylphenyl ester
CAS No: 17763-69-8 Catalog No: AG0025FQ MDL No:
Product Description
Catalog Number:
AG0025FQ
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-formylphenyl ester
CAS Number:
17763-69-8
Molecular Formula:
C8H5F3O4S
Molecular Weight:
254.1831
IUPAC Name:
(4-formylphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H5F3O4S/c9-8(10,11)16(13,14)15-7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
ALUJNTGOUFHAEF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.179g/mol
Monoisotopic Mass:
253.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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