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156419-81-7 | Benzene, 1-[(20-iodoeicosyl)oxy]-4-methoxy-
CAS No: 156419-81-7 Catalog No: AG007HWC MDL No:
Product Description
Catalog Number:
AG007HWC
Chemical Name:
Benzene, 1-[(20-iodoeicosyl)oxy]-4-methoxy-
CAS Number:
156419-81-7
Molecular Formula:
C27H47IO2
Molecular Weight:
530.5653
IUPAC Name:
1-(20-iodoicosoxy)-4-methoxybenzene
InChI:
InChI=1S/C27H47IO2/c1-29-26-20-22-27(23-21-26)30-25-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24-28/h20-23H,2-19,24-25H2,1H3
InChI Key:
XBXMURHCPZHELT-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCCCCCCCCCCCOc1ccc(cc1)OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.262g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.575g/mol
Monoisotopic Mass:
530.262g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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