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888968-41-0 | (((2-Iodo-1,3-phenylene)bis(oxy))bis(methylene))dibenzene
CAS No: 888968-41-0 Catalog No: AG01D8P7 MDL No:
Product Description
Catalog Number:
AG01D8P7
Chemical Name:
(((2-Iodo-1,3-phenylene)bis(oxy))bis(methylene))dibenzene
CAS Number:
888968-41-0
Molecular Formula:
C20H17IO2
Molecular Weight:
416.2522
IUPAC Name:
2-iodo-1,3-bis(phenylmethoxy)benzene
InChI:
InChI=1S/C20H17IO2/c21-20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(20)23-15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChI Key:
RMKORBOOXCSCPX-UHFFFAOYSA-N
SMILES:
Ic1c(OCc2ccccc2)cccc1OCc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.027g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.258g/mol
Monoisotopic Mass:
416.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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