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68090-13-1 | Methanone, 1H-imidazol-2-yl(4-nitrophenyl)-
CAS No: 68090-13-1 Catalog No: AG005NG8 MDL No:
Product Description
Catalog Number:
AG005NG8
Chemical Name:
Methanone, 1H-imidazol-2-yl(4-nitrophenyl)-
CAS Number:
68090-13-1
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
1H-imidazol-2-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C10H7N3O3/c14-9(10-11-5-6-12-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,11,12)
InChI Key:
DJGKRSACPRIIDR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)c1ncc[nH]1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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