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Home > Fluorides > 861906-52-7
861906-52-7 | Naphthalene, 7-ethoxy-1,2,8-trifluoro-3-(trans-4-pentylcyclohexyl)-
CAS No: 861906-52-7 Catalog No: AG004NKD MDL No:
Product Description
Catalog Number:
AG004NKD
Chemical Name:
Naphthalene, 7-ethoxy-1,2,8-trifluoro-3-(trans-4-pentylcyclohexyl)-
CAS Number:
861906-52-7
Molecular Formula:
C23H29F3O
Molecular Weight:
378.4710
IUPAC Name:
7-ethoxy-1,2,8-trifluoro-3-(4-pentylcyclohexyl)naphthalene
InChI:
InChI=1S/C23H29F3O/c1-3-5-6-7-15-8-10-16(11-9-15)18-14-17-12-13-19(27-4-2)22(25)20(17)23(26)21(18)24/h12-16H,3-11H2,1-2H3
InChI Key:
JJFCDGOEPGKCSQ-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)c1cc2ccc(c(c2c(c1F)F)F)OCC
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.217g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.479g/mol
Monoisotopic Mass:
378.217g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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