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402475-75-6 | 2-(4-Iodo-phenoxy)-propionic acid ethyl ester
CAS No: 402475-75-6 Catalog No: AG01EVU4 MDL No:
Product Description
Catalog Number:
AG01EVU4
Chemical Name:
2-(4-Iodo-phenoxy)-propionic acid ethyl ester
CAS Number:
402475-75-6
Molecular Formula:
C11H13IO3
Molecular Weight:
320.1236
IUPAC Name:
ethyl 2-(4-iodophenoxy)propanoate
InChI:
InChI=1S/C11H13IO3/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3
InChI Key:
SHBODRNPEFIEIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)I)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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