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80843-56-7 | Benzene,1-(4-fluorophenoxy)-3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]-
CAS No: 80843-56-7 Catalog No: AG005ION MDL No:
Product Description
Catalog Number:
AG005ION
Chemical Name:
Benzene,1-(4-fluorophenoxy)-3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]-
CAS Number:
80843-56-7
Molecular Formula:
C24H24F2O2
Molecular Weight:
382.4430
IUPAC Name:
1-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylbutoxy]methyl]phenoxy]benzene
InChI:
InChI=1S/C24H24F2O2/c1-3-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26)12-14-22/h4-15H,3,16-17H2,1-2H3
InChI Key:
KBCPBRZMDBIRRH-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)F)(COCc1cccc(c1)Oc1ccc(cc1)F)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.451g/mol
Monoisotopic Mass:
382.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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