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83493-23-6 | Benzene,4-[[2-[4-(2-ethoxyethoxy)phenyl]-2-methylpropoxy]methyl]-1-fluoro-2-phenoxy-
CAS No: 83493-23-6 Catalog No: AG005076 MDL No:
Product Description
Catalog Number:
AG005076
Chemical Name:
Benzene,4-[[2-[4-(2-ethoxyethoxy)phenyl]-2-methylpropoxy]methyl]-1-fluoro-2-phenoxy-
CAS Number:
83493-23-6
Molecular Formula:
C27H31FO4
Molecular Weight:
438.5310
IUPAC Name:
4-[[2-[4-(2-ethoxyethoxy)phenyl]-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
InChI:
InChI=1S/C27H31FO4/c1-4-29-16-17-31-23-13-11-22(12-14-23)27(2,3)20-30-19-21-10-15-25(28)26(18-21)32-24-8-6-5-7-9-24/h5-15,18H,4,16-17,19-20H2,1-3H3
InChI Key:
RXPGBMSRSZJJPX-UHFFFAOYSA-N
SMILES:
CCOCCOc1ccc(cc1)C(COCc1ccc(c(c1)Oc1ccccc1)F)(C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.221g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.539g/mol
Monoisotopic Mass:
438.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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