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Home > Imidazoles > 84100-55-0
84100-55-0 | 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-B]BENZO[D]THIAZOLE
CAS No: 84100-55-0 Catalog No: AG008GXY MDL No:
Product Description
Catalog Number:
AG008GXY
Chemical Name:
2,3-DIHYDRO-6-NITROIMIDAZO[2,1-B]BENZO[D]THIAZOLE
CAS Number:
84100-55-0
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
IUPAC Name:
7-nitro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C9H7N3O2S/c13-12(14)6-1-2-8-7(5-6)11-4-3-10-9(11)15-8/h1-2,5H,3-4H2
InChI Key:
VCOKDIGXZMLYQD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(cc1)sc1=NCCn21
EC Number:
282-135-7
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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