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Home > Imidazoles > 106636-44-6
106636-44-6 | Imidazo[2,1-b]thiazole, 3-methyl-5-nitroso-6-(4-nitrophenyl)-
CAS No: 106636-44-6 Catalog No: AG007ULQ MDL No:
Product Description
Catalog Number:
AG007ULQ
Chemical Name:
Imidazo[2,1-b]thiazole, 3-methyl-5-nitroso-6-(4-nitrophenyl)-
CAS Number:
106636-44-6
Molecular Formula:
C12H8N4O3S
Molecular Weight:
288.2819
IUPAC Name:
3-methyl-6-(4-nitrophenyl)-5-nitrosoimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C12H8N4O3S/c1-7-6-20-12-13-10(11(14-17)15(7)12)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3
InChI Key:
UAKOKYGGDPKLCS-UHFFFAOYSA-N
SMILES:
O=Nc1c(nc2n1c(C)cs2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.281g/mol
Monoisotopic Mass:
288.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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