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78969-69-4

78969-69-4 | 2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester

CAS No: 78969-69-4 Catalog No: AG00GH8Y MDL No:

Product Description

Catalog Number:
AG00GH8Y
Chemical Name:
2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester
CAS Number:
78969-69-4
IUPAC Name:
2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
InChI:
InChI=1S/C18H21I3N2O5/c1-10(24)22-16-13(20)9-12(19)14(15(16)21)17(25)27-7-8-28-18(26)23-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,22,24)(H,23,26)
InChI Key:
WNUUWQUNTSGWGN-UHFFFAOYSA-N

Properties

Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
725.858g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
726.088g/mol
Monoisotopic Mass:
725.858g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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