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Home > Imidazoles > 65447-41-8
65447-41-8 | 4-(4-methoxyphenyl)-5-nitro-1H-imidazole
CAS No: 65447-41-8 Catalog No: AG01ACJX MDL No:MFCD00455260
Product Description
Catalog Number:
AG01ACJX
Chemical Name:
4-(4-methoxyphenyl)-5-nitro-1H-imidazole
CAS Number:
65447-41-8
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD00455260
IUPAC Name:
4-(4-methoxyphenyl)-5-nitro-1H-imidazole
InChI:
InChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)9-10(13(14)15)12-6-11-9/h2-6H,1H3,(H,11,12)
InChI Key:
YBNIKDPIGCYQIY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc[nH]c1[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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