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Home > Fluorides > 156243-63-9
156243-63-9 | Benzene, 5-[2-[4-(trans-4-butylcyclohexyl)phenyl]ethynyl]-1,2,3-trifluoro-
CAS No: 156243-63-9 Catalog No: AG001OMK MDL No:
Product Description
Catalog Number:
AG001OMK
Chemical Name:
Benzene, 5-[2-[4-(trans-4-butylcyclohexyl)phenyl]ethynyl]-1,2,3-trifluoro-
CAS Number:
156243-63-9
Molecular Formula:
C24H25F3
Molecular Weight:
370.4505
IUPAC Name:
5-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C24H25F3/c1-2-3-4-17-7-11-20(12-8-17)21-13-9-18(10-14-21)5-6-19-15-22(25)24(27)23(26)16-19/h9-10,13-17,20H,2-4,7-8,11-12H2,1H3
InChI Key:
IPGFTRHEIDTOSQ-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.191g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.459g/mol
Monoisotopic Mass:
370.191g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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