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Home > Imidazoles > 173865-33-3
173865-33-3 | 4-nitro-1-trityl-1H-imidazole
CAS No: 173865-33-3 Catalog No: AG01DDWG MDL No:
Product Description
Catalog Number:
AG01DDWG
Chemical Name:
4-nitro-1-trityl-1H-imidazole
CAS Number:
173865-33-3
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
4-nitro-1-tritylimidazole
InChI:
InChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key:
MUQGVERJAKANJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| The role of hydrogen bond acceptor groups in the interaction of substrates with Pdr5p, a major yeast drug transporter. | Biochemistry 20050719 |
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