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Home > Fluorides > 144675-91-2
144675-91-2 | Benzene, 1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)-1-cyclohexen-1-yl]-, trans- (9CI)
CAS No: 144675-91-2 Catalog No: AG001JYW MDL No:
Product Description
Catalog Number:
AG001JYW
Chemical Name:
Benzene, 1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)-1-cyclohexen-1-yl]-, trans- (9CI)
CAS Number:
144675-91-2
Molecular Formula:
C21H27F3
Molecular Weight:
336.4343
IUPAC Name:
1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
InChI:
InChI=1S/C21H27F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h10,12-16H,2-9,11H2,1H3
InChI Key:
OMTDXPFPYPQYMA-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C1CCC(=CC1)c1cc(F)c(c(c1)F)F
EC Number:
604-431-0
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.442g/mol
Monoisotopic Mass:
336.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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