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Home > Fluorides > 294869-91-3
294869-91-3 | Cyclohexanone, 2-[(trifluoromethyl)thio]-
CAS No: 294869-91-3 Catalog No: AG002YJX MDL No:
Product Description
Catalog Number:
AG002YJX
Chemical Name:
Cyclohexanone, 2-[(trifluoromethyl)thio]-
CAS Number:
294869-91-3
Molecular Formula:
C7H9F3OS
Molecular Weight:
198.2060
IUPAC Name:
2-(trifluoromethylsulfanyl)cyclohexan-1-one
InChI:
InChI=1S/C7H9F3OS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h6H,1-4H2
InChI Key:
IINQOAMUBQXSLC-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1SC(F)(F)F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.203g/mol
Monoisotopic Mass:
198.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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