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80843-57-8 | 1-fluoro-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
CAS No: 80843-57-8 Catalog No: AG00516Z MDL No:
Product Description
Catalog Number:
AG00516Z
Chemical Name:
1-fluoro-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
CAS Number:
80843-57-8
Molecular Formula:
C24H25FO2
Molecular Weight:
364.4525
IUPAC Name:
1-fluoro-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
InChI:
InChI=1S/C24H25FO2/c1-18-7-9-20(10-8-18)24(2,3)17-26-16-19-5-4-6-23(15-19)27-22-13-11-21(25)12-14-22/h4-15H,16-17H2,1-3H3
InChI Key:
CRSNOPBMLCFEOC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(COCc1cccc(c1)Oc1ccc(cc1)F)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.184g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.46g/mol
Monoisotopic Mass:
364.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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