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95792-71-5 | 1H-Imidazole, 5-(4-methoxyphenoxy)-1-methyl-4-nitro-
CAS No: 95792-71-5 Catalog No: AG005XDN MDL No:
Product Description
Catalog Number:
AG005XDN
Chemical Name:
1H-Imidazole, 5-(4-methoxyphenoxy)-1-methyl-4-nitro-
CAS Number:
95792-71-5
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
5-(4-methoxyphenoxy)-1-methyl-4-nitroimidazole
InChI:
InChI=1S/C11H11N3O4/c1-13-7-12-10(14(15)16)11(13)18-9-5-3-8(17-2)4-6-9/h3-7H,1-2H3
InChI Key:
BAIKAGJJAACOBF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1n(C)cnc1[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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