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Home > Fluorides > 137529-57-8
137529-57-8 | Benzene, 5-[trans-4-[2-(trans-4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro-
CAS No: 137529-57-8 Catalog No: AG0013HK MDL No:MFCD12912372
Product Description
Catalog Number:
AG0013HK
Chemical Name:
Benzene, 5-[trans-4-[2-(trans-4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro-
CAS Number:
137529-57-8
Molecular Formula:
C22H31F3
Molecular Weight:
352.4767
MDL Number:
MFCD12912372
IUPAC Name:
5-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C22H31F3/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19/h13-18H,2-12H2,1H3
InChI Key:
SOLQDJUTBJEPAR-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)CC[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.238g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.485g/mol
Monoisotopic Mass:
352.238g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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