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192511-13-0 | Carbonic acid, ethyl 2,2,2-triiodoethyl ester
CAS No: 192511-13-0 Catalog No: AG002G1P MDL No:
Product Description
Catalog Number:
AG002G1P
Chemical Name:
Carbonic acid, ethyl 2,2,2-triiodoethyl ester
CAS Number:
192511-13-0
Molecular Formula:
C5H7I3O3
Molecular Weight:
495.8207
IUPAC Name:
ethyl 2,2,2-triiodoethyl carbonate
InChI:
InChI=1S/C5H7I3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3
InChI Key:
MSIKCMOZRFYFGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)OCC(I)(I)I
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.753g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.821g/mol
Monoisotopic Mass:
495.753g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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