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Home > Imidazoles > 823816-04-2
823816-04-2 | Thiazole, 2-iodo-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-
CAS No: 823816-04-2 Catalog No: AG008K7D MDL No:
Product Description
Catalog Number:
AG008K7D
Chemical Name:
Thiazole, 2-iodo-5-[[2-(nitromethylene)-1-imidazolidinyl]methyl]-
CAS Number:
823816-04-2
Molecular Formula:
C8H9IN4O2S
Molecular Weight:
352.1521
IUPAC Name:
2-iodo-5-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole
InChI:
InChI=1S/C8H9IN4O2S/c9-8-11-3-6(16-8)4-12-2-1-10-7(12)5-13(14)15/h3,5,10H,1-2,4H2
InChI Key:
MJIDDHIKMVINML-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1NCCN1Cc1cnc(s1)I
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.949g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.15g/mol
Monoisotopic Mass:
351.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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