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201990-16-1 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-iodoethoxy)ethyl]-
CAS No: 201990-16-1 Catalog No: AG0027Z7 MDL No:
Product Description
Catalog Number:
AG0027Z7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-iodoethoxy)ethyl]-
CAS Number:
201990-16-1
Molecular Formula:
C12H12INO3
Molecular Weight:
345.1331
IUPAC Name:
2-[2-(2-iodoethoxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H12INO3/c13-5-7-17-8-6-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChI Key:
VXAKDCRZEWATAJ-UHFFFAOYSA-N
SMILES:
ICCOCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.136g/mol
Monoisotopic Mass:
344.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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