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Home > Imidazoles > 96125-76-7
96125-76-7 | 5-NITRO-6-(NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE
CAS No: 96125-76-7 Catalog No: AG0068MP MDL No:
Product Description
Catalog Number:
AG0068MP
Chemical Name:
5-NITRO-6-(NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE
CAS Number:
96125-76-7
Molecular Formula:
C11H6N4O4S
Molecular Weight:
290.2547
IUPAC Name:
5-nitro-6-(2-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C11H8N4O4S/c16-14(17)8-4-2-1-3-7(8)9-10(15(18)19)13-5-6-20-11(13)12-9/h1-4H,5-6H2
InChI Key:
VXCPMUAPIXVAHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nc2n1ccs2)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.269g/mol
Monoisotopic Mass:
292.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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