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Home > Imidazoles > 2301-25-9
2301-25-9 | 1H-Imidazole, 1-(4-nitrophenyl)-
CAS No: 2301-25-9 Catalog No: AG002LVC MDL No:MFCD00060491
Product Description
Catalog Number:
AG002LVC
Chemical Name:
1H-Imidazole, 1-(4-nitrophenyl)-
CAS Number:
2301-25-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD00060491
IUPAC Name:
1-(4-nitrophenyl)imidazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H
InChI Key:
PUCOOPJLAXJKOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1cncc1
Properties
Complexity:
209
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:
0
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Quaternary ammonium-linked glucuronidation of 1-substituted imidazoles by liver microsomes: interspecies differences and structure-metabolism relationships. | Drug metabolism and disposition: the biological fate of chemicals 20021001 |
| Quaternary ammonium-linked glucuronidation of 1-substituted imidazoles: studies of human UDP-glucuronosyltransferases involved and substrate specificities. | Drug metabolism and disposition: the biological fate of chemicals 20011001 |
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