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Home > Fluorides > 123560-48-5
123560-48-5 | Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 123560-48-5 Catalog No: AG000KSQ MDL No:MFCD18433524
Product Description
Catalog Number:
AG000KSQ
Chemical Name:
Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
123560-48-5
Molecular Formula:
C23H34F2O
Molecular Weight:
364.5123
MDL Number:
MFCD18433524
IUPAC Name:
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI:
InChI=1S/C23H34F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-19H,3-13H2,1-2H3
InChI Key:
CFJCNWQXOICKIF-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)OCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.258g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.521g/mol
Monoisotopic Mass:
364.258g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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