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339008-12-7

339008-12-7 | 6-(4-methoxyphenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole

CAS No: 339008-12-7 Catalog No: AG00IQE0 MDL No:MFCD00138978

Product Description

Catalog Number:
AG00IQE0
Chemical Name:
6-(4-methoxyphenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
CAS Number:
339008-12-7
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
MDL Number:
MFCD00138978
IUPAC Name:
6-(4-methoxyphenoxy)-5-nitroimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C12H9N3O4S/c1-18-8-2-4-9(5-3-8)19-10-11(15(16)17)14-6-7-20-12(14)13-10/h2-7H,1H3
InChI Key:
YJLOZMVGOSTBBN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1nc2n(c1[N+](=O)[O-])ccs2

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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