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119353-22-9 | Cyclohexane, [2-[(trifluoromethyl)sulfonyl]ethynyl]-
CAS No: 119353-22-9 Catalog No: AG000INQ MDL No:
Product Description
Catalog Number:
AG000INQ
Chemical Name:
Cyclohexane, [2-[(trifluoromethyl)sulfonyl]ethynyl]-
CAS Number:
119353-22-9
Molecular Formula:
C9H11F3O2S
Molecular Weight:
240.2426
IUPAC Name:
2-(trifluoromethylsulfonyl)ethynylcyclohexane
InChI:
InChI=1S/C9H11F3O2S/c10-9(11,12)15(13,14)7-6-8-4-2-1-3-5-8/h8H,1-5H2
InChI Key:
KJLMVNGPBDZGRA-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)C#CC1CCCCC1)(F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.24g/mol
Monoisotopic Mass:
240.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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