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76994-60-0 | iodipamide ethyl ester
CAS No: 76994-60-0 Catalog No: AG00GF7N MDL No:
Product Description
Catalog Number:
AG00GF7N
Chemical Name:
iodipamide ethyl ester
CAS Number:
76994-60-0
IUPAC Name:
ethyl 3-[[6-(3-ethoxycarbonyl-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoate
InChI:
InChI=1S/C24H22I6N2O6/c1-3-37-23(35)17-11(25)9-13(27)21(19(17)29)31-15(33)7-5-6-8-16(34)32-22-14(28)10-12(26)18(20(22)30)24(36)38-4-2/h9-10H,3-8H2,1-2H3,(H,31,33)(H,32,34)
InChI Key:
HBWRDJPOMZHLRU-UHFFFAOYSA-N
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1195.575g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1195.875g/mol
Monoisotopic Mass:
1195.575g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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