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Structure

1,2,3-TRIFLUORO-5-[TRANS-4-[2-(TRANS-4-PROPYLCYCLOHEXYL)ETHYL]CYCLOHEXYL]BENZENE

CAS
131819-24-4
Catalog Number
ACM131819244
Category
Other Products
Molecular Weight
366.5
Molecular Formula
C23H33F3

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Specification

Synonyms
1,2,3-Trifluoro-5-{4-[2-(4-Propylcyclohexyl)Ethyl]Cyclohexyl}Benzene
IUPAC Name
1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
Canonical SMILES
CCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChI Key
PGBOJQDLNPQVCK-UHFFFAOYSA-N
Boiling Point
411.8±45.0 ºC
Melting Point
81 °C
Density
1.025 g/ml
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
384
Covalently-Bonded Unit Count
1
Exact Mass
366.253436g/mol
Formal Charge
0
Hazard Statements
H302
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
26
MDL Number
MFCD12828865
Monoisotopic Mass
366.253436g/mol
Precautionary Statements
P280-P305+P351+P338
Rotatable Bond Count
6
Signal Word
Warning
XLogP3
9.6
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