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561011-06-1 | 2-(pyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CAS No: 561011-06-1 Catalog No: AG01ABE8 MDL No:MFCD04611930
Product Description
Catalog Number:
AG01ABE8
Chemical Name:
2-(pyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CAS Number:
561011-06-1
Molecular Formula:
C12H13I3N2O
Molecular Weight:
581.9578
MDL Number:
MFCD04611930
IUPAC Name:
2-pyrrolidin-1-yl-N-(2,4,6-triiodophenyl)acetamide
InChI:
InChI=1S/C12H13I3N2O/c13-8-5-9(14)12(10(15)6-8)16-11(18)7-17-3-1-2-4-17/h5-6H,1-4,7H2,(H,16,18)
InChI Key:
UGYNNZFCAWRKHM-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(I)cc(cc1I)I)CN1CCCC1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.816g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
581.962g/mol
Monoisotopic Mass:
581.816g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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