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923594-94-9 | 1,3-Dioxolane, 2-[(2-iodophenoxy)methyl]-2-(4-methoxyphenyl)-
CAS No: 923594-94-9 Catalog No: AG0066ZZ MDL No:
Product Description
Catalog Number:
AG0066ZZ
Chemical Name:
1,3-Dioxolane, 2-[(2-iodophenoxy)methyl]-2-(4-methoxyphenyl)-
CAS Number:
923594-94-9
Molecular Formula:
C17H17IO4
Molecular Weight:
412.2190
IUPAC Name:
2-[(2-iodophenoxy)methyl]-2-(4-methoxyphenyl)-1,3-dioxolane
InChI:
InChI=1S/C17H17IO4/c1-19-14-8-6-13(7-9-14)17(21-10-11-22-17)12-20-16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3
InChI Key:
OECDLIZYIKUYMG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(OCCO1)COc1ccccc1I
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.017g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.223g/mol
Monoisotopic Mass:
412.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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