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Home > Fluorides > 139117-43-4
139117-43-4 | Cyclohexane, 1,1,4-trifluoro-
CAS No: 139117-43-4 Catalog No: AG001AC0 MDL No:
Product Description
Catalog Number:
AG001AC0
Chemical Name:
Cyclohexane, 1,1,4-trifluoro-
CAS Number:
139117-43-4
Molecular Formula:
C6H9F3
Molecular Weight:
138.1309
IUPAC Name:
1,1,4-trifluorocyclohexane
InChI:
InChI=1S/C6H9F3/c7-5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChI Key:
LBIQZIJRSOGYPO-UHFFFAOYSA-N
SMILES:
FC1CCC(CC1)(F)F
Properties
Complexity:
90.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.066g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.133g/mol
Monoisotopic Mass:
138.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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