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339008-13-8 | 5-nitro-6-(4-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CAS No: 339008-13-8 Catalog No: AG00IQE1 MDL No:MFCD00138979
Product Description
Catalog Number:
AG00IQE1
Chemical Name:
5-nitro-6-(4-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CAS Number:
339008-13-8
Molecular Formula:
C11H6N4O5S
Molecular Weight:
306.2541
MDL Number:
MFCD00138979
IUPAC Name:
5-nitro-6-(4-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C11H6N4O5S/c16-14(17)7-1-3-8(4-2-7)20-9-10(15(18)19)13-5-6-21-11(13)12-9/h1-6H
InChI Key:
BSRVMNATTSYMAR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Oc2ccc(cc2)[N+](=O)[O-])nc2n1ccs2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.006g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.252g/mol
Monoisotopic Mass:
306.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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