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88191-98-4 | Benzoic acid, 2,3,4,6-tetraiodo-, 2-ethoxyethyl ester
CAS No: 88191-98-4 Catalog No: AG004C64 MDL No:
Product Description
Catalog Number:
AG004C64
Chemical Name:
Benzoic acid, 2,3,4,6-tetraiodo-, 2-ethoxyethyl ester
CAS Number:
88191-98-4
Molecular Formula:
C11H10I4O3
Molecular Weight:
697.8132
IUPAC Name:
2-ethoxyethyl 2,3,4,6-tetraiodobenzoate
InChI:
InChI=1S/C11H10I4O3/c1-2-17-3-4-18-11(16)8-6(12)5-7(13)9(14)10(8)15/h5H,2-4H2,1H3
InChI Key:
KDTQLQBGJRYHRA-UHFFFAOYSA-N
SMILES:
CCOCCOC(=O)c1c(I)cc(c(c1I)I)I
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
697.681g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
697.816g/mol
Monoisotopic Mass:
697.681g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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