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Home > Imidazoles > 1407153-39-2
1407153-39-2 | Pyridine, 3-(1H-imidazol-1-yl)-2-nitro-
CAS No: 1407153-39-2 Catalog No: AG001CQ7 MDL No:
Product Description
Catalog Number:
AG001CQ7
Chemical Name:
Pyridine, 3-(1H-imidazol-1-yl)-2-nitro-
CAS Number:
1407153-39-2
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
IUPAC Name:
3-imidazol-1-yl-2-nitropyridine
InChI:
InChI=1S/C8H6N4O2/c13-12(14)8-7(2-1-3-10-8)11-5-4-9-6-11/h1-6H
InChI Key:
DAACQIXILSSENH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncccc1n1cncc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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