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40511-41-9 | 1H-Imidazole,5-(3-nitrophenyl)-
CAS No: 40511-41-9 Catalog No: AG0076YJ MDL No:MFCD08669129
Product Description
Catalog Number:
AG0076YJ
Chemical Name:
1H-Imidazole,5-(3-nitrophenyl)-
CAS Number:
40511-41-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD08669129
IUPAC Name:
5-(3-nitrophenyl)-1H-imidazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6H,(H,10,11)
InChI Key:
AMSITKGZVUXDQM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cnc[nH]1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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