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trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one

Catalog Number
ACM147622853
Product Name
trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one
Structure
CAS
147622-85-3
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one
Molecular Weight
292.37
Molecular Formula
C18H22F2O
Canonical SMILES
C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2
InChI Key
IUJMYVYPSSBPCX-UHFFFAOYSA-N
Melting Point
77 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
352
Covalently-Bonded Unit Count
1
EC Number
604-593-2
Exact Mass
292.163872g/mol
Formal Charge
0
Heavy Atom Count
21
Monoisotopic Mass
292.163872g/mol
Rotatable Bond Count
2
XLogP3
4.8
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