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Home > Fluorides > 139215-80-8
139215-80-8 | Benzene, 5-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro-
CAS No: 139215-80-8 Catalog No: AG001AI0 MDL No:MFCD12911825
Product Description
Catalog Number:
AG001AI0
Chemical Name:
Benzene, 5-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro-
CAS Number:
139215-80-8
Molecular Formula:
C20H27F3
Molecular Weight:
324.4236
MDL Number:
MFCD12911825
IUPAC Name:
5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3
InChI Key:
DXFHMMVZUZLQFU-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)F
EC Number:
604-115-2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.431g/mol
Monoisotopic Mass:
324.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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