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4-(3,4,5-Trifluorophenyl)cyclohexanone

Catalog Number
ACM160148050
CAS Number
160148-05-0
Product Name
4-(3,4,5-Trifluorophenyl)cyclohexanone
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-(3,4,5-trifluorophenyl)cyclohexan-1-one
Molecular Weight
228.21g/mol
Molecular Formula
C12H11F3O
Canonical SMILES
C1CC(=O)CCC1C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C12H11F3O/c13-10-5-8(6-11(14)12(10)15)7-1-3-9(16)4-2-7/h5-7H,1-4H2
InChI Key
OTWYGOFXXZVJAK-UHFFFAOYSA-N
Complexity
247
Covalently-Bonded Unit Count
1
Exact Mass
228.076199g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
228.076199g/mol
Rotatable Bond Count
1
XLogP3
2.4
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