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Home > Fluorides > 121639-59-6
121639-59-6 | Benzene, 4-[[4-(trans-4-butylcyclohexyl)phenyl]ethynyl]-1,2-difluoro- (9CI)
CAS No: 121639-59-6 Catalog No: AG0015GD MDL No:
Product Description
Catalog Number:
AG0015GD
Chemical Name:
Benzene, 4-[[4-(trans-4-butylcyclohexyl)phenyl]ethynyl]-1,2-difluoro- (9CI)
CAS Number:
121639-59-6
Molecular Formula:
C24H26F2
Molecular Weight:
352.4600
IUPAC Name:
4-[2-[4-(4-butylcyclohexyl)phenyl]ethynyl]-1,2-difluorobenzene
InChI:
InChI=1S/C24H26F2/c1-2-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(25)24(26)17-20/h9-11,14-18,21H,2-4,7-8,12-13H2,1H3
InChI Key:
DAYBAHYLPVOZOE-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#Cc1ccc(c(c1)F)F
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.469g/mol
Monoisotopic Mass:
352.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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