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Home > Fluorides > 845268-23-7
845268-23-7 | Naphthalene, 1,2,8-trifluoro-7-propyl-3-(trans-4-propylcyclohexyl)-
CAS No: 845268-23-7 Catalog No: AG004RXZ MDL No:
Product Description
Catalog Number:
AG004RXZ
Chemical Name:
Naphthalene, 1,2,8-trifluoro-7-propyl-3-(trans-4-propylcyclohexyl)-
CAS Number:
845268-23-7
Molecular Formula:
C22H27F3
Molecular Weight:
348.4450
IUPAC Name:
1,2,8-trifluoro-7-propyl-3-(4-propylcyclohexyl)naphthalene
InChI:
InChI=1S/C22H27F3/c1-3-5-14-7-9-15(10-8-14)18-13-17-12-11-16(6-4-2)20(23)19(17)22(25)21(18)24/h11-15H,3-10H2,1-2H3
InChI Key:
PMLFGXUTUSLJNQ-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1cc2ccc(c(c2c(c1F)F)F)CCC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.206g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.453g/mol
Monoisotopic Mass:
348.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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