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89250-10-2 | 1H-Imidazole, 4-(3-methoxy-4-nitrophenyl)-
CAS No: 89250-10-2 Catalog No: AG0041V9 MDL No:
Product Description
Catalog Number:
AG0041V9
Chemical Name:
1H-Imidazole, 4-(3-methoxy-4-nitrophenyl)-
CAS Number:
89250-10-2
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
5-(3-methoxy-4-nitrophenyl)-1H-imidazole
InChI:
InChI=1S/C10H9N3O3/c1-16-10-4-7(8-5-11-6-12-8)2-3-9(10)13(14)15/h2-6H,1H3,(H,11,12)
InChI Key:
MBACXRBTOLNPPS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])c1c[nH]cn1
Properties
Complexity:
256
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:
1.5
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