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Home > Fluorides > 114969-27-6
114969-27-6 | Benzene, [(cyclohexylidenefluoromethyl)sulfonyl]-
CAS No: 114969-27-6 Catalog No: AG000FHP MDL No:
Product Description
Catalog Number:
AG000FHP
Chemical Name:
Benzene, [(cyclohexylidenefluoromethyl)sulfonyl]-
CAS Number:
114969-27-6
Molecular Formula:
C13H15FO2S
Molecular Weight:
254.3204
IUPAC Name:
[cyclohexylidene(fluoro)methyl]sulfonylbenzene
InChI:
InChI=1S/C13H15FO2S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h2,5-6,9-10H,1,3-4,7-8H2
InChI Key:
RSSDFLSYNVYDQJ-UHFFFAOYSA-N
SMILES:
FC(=C1CCCCC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.319g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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