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56643-91-5 | 1-[2-(4-nitrophenyl)ethyl]-1H-imidazole
CAS No: 56643-91-5 Catalog No: AG00IT7N MDL No:MFCD05669796
Product Description
Catalog Number:
AG00IT7N
Chemical Name:
1-[2-(4-nitrophenyl)ethyl]-1H-imidazole
CAS Number:
56643-91-5
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD05669796
IUPAC Name:
1-[2-(4-nitrophenyl)ethyl]imidazole
InChI:
InChI=1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChI Key:
HCPMKJOVCNZGSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CCn1cncc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). | Bioorganic & medicinal chemistry letters 20100515 |
| 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 |
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