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Home > Fluorides > 1435805-92-7
1435805-92-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-cyano-1-cyclohexen-1-yl ester
CAS No: 1435805-92-7 Catalog No: AG01F4V7 MDL No:
Product Description
Catalog Number:
AG01F4V7
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-cyano-1-cyclohexen-1-yl ester
CAS Number:
1435805-92-7
Molecular Formula:
C8H8F3NO3S
Molecular Weight:
255.2142
IUPAC Name:
(4-cyanocyclohexen-1-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H8F3NO3S/c9-8(10,11)16(13,14)15-7-3-1-6(5-12)2-4-7/h3,6H,1-2,4H2
InChI Key:
MVENMYCJJVWWTK-UHFFFAOYSA-N
SMILES:
N#CC1CCC(=CC1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.211g/mol
Monoisotopic Mass:
255.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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