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Home > Fluorides > 124728-81-0
124728-81-0 | Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 124728-81-0 Catalog No: AG000MOA MDL No:MFCD11053404
Product Description
Catalog Number:
AG000MOA
Chemical Name:
Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
124728-81-0
Molecular Formula:
C25H38F2O
Molecular Weight:
392.5654
MDL Number:
MFCD11053404
IUPAC Name:
1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
InChI:
InChI=1S/C25H38F2O/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(28-4-2)25(27)24(22)26/h16-21H,3-15H2,1-2H3
InChI Key:
GLZNOTOAQDMKMM-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)OCC
EC Number:
603-007-2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.289g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.575g/mol
Monoisotopic Mass:
392.289g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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