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Home > Fluorides > 114533-06-1
114533-06-1 | Methanesulfonic acid, 1,1,1-trifluoro-, (4-nitrophenyl)methyl ester
CAS No: 114533-06-1 Catalog No: AG000ENU MDL No:
Product Description
Catalog Number:
AG000ENU
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, (4-nitrophenyl)methyl ester
CAS Number:
114533-06-1
Molecular Formula:
C8H6F3NO5S
Molecular Weight:
285.1971
IUPAC Name:
(4-nitrophenyl)methyl trifluoromethanesulfonate
InChI:
InChI=1S/C8H6F3NO5S/c9-8(10,11)18(15,16)17-5-6-1-3-7(4-2-6)12(13)14/h1-4H,5H2
InChI Key:
DFMFSSOQMCTCGK-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-])(F)F
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.193g/mol
Monoisotopic Mass:
284.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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