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67266-44-8 | 1H-Imidazole, 1-ethyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-
CAS No: 67266-44-8 Catalog No: AG005PM1 MDL No:
Product Description
Catalog Number:
AG005PM1
Chemical Name:
1H-Imidazole, 1-ethyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-
CAS Number:
67266-44-8
Molecular Formula:
C13H15N3O3S
Molecular Weight:
293.3415
IUPAC Name:
1-ethyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
InChI:
InChI=1S/C13H15N3O3S/c1-3-15-12(14-8-13(15)16(17)18)9-19-10-4-6-11(20-2)7-5-10/h4-8H,3,9H2,1-2H3
InChI Key:
YVBJALFODZXYLR-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)OCc1ncc(n1CC)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.341g/mol
Monoisotopic Mass:
293.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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