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Home > Fluorides > 151105-71-4
151105-71-4 | Benzene, 1,3-difluoro-5-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]- (9CI)
CAS No: 151105-71-4 Catalog No: AG001N3T MDL No:
Product Description
Catalog Number:
AG001N3T
Chemical Name:
Benzene, 1,3-difluoro-5-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]- (9CI)
CAS Number:
151105-71-4
Molecular Formula:
C23H24F2
Molecular Weight:
338.4335
IUPAC Name:
1,3-difluoro-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
InChI:
InChI=1S/C23H24F2/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-14-22(24)16-23(25)15-19/h8-9,12-17,20H,2-3,6-7,10-11H2,1H3
InChI Key:
HQXQANCOVMXZBR-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#Cc1cc(F)cc(c1)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.442g/mol
Monoisotopic Mass:
338.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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