Cas no 118040-66-7 (1-[(4-nitrophenyl)-phenylmethyl]imidazole)
![1-[(4-nitrophenyl)-phenylmethyl]imidazole structure](https://ossimg.kuujia.com/scimg/118500/118040-66-7x500.png)
118040-66-7 structure
Product Name:1-[(4-nitrophenyl)-phenylmethyl]imidazole
CAS No:118040-66-7
MF:C16H13N3O2
MW:279.293323278427
CID:2615633
PubChem ID:14174067
Update Time:2025-04-21
1-[(4-nitrophenyl)-phenylmethyl]imidazole Chemical and Physical Properties
Names and Identifiers
-
- 1-[(4-nitrophenyl)-phenylmethyl]imidazole
- 1-[(4-nitrophenyl)phenylmethyl]-1H-imidazole
- 1-[(4-Nitrophenyl)(phenyl)methyl]-1H-imidazole
- 118040-66-7
- LEMIWZFXIZYJKQ-UHFFFAOYSA-N
- DTXSID50556941
- CHEMBL22000
- SCHEMBL6868753
-
- Inchi： 1S/C16H13N3O2/c20-19(21)15-8-6-14(7-9-15)16(18-11-10-17-12-18)13-4-2-1-3-5-13/h1-12,16H
- InChI Key： LEMIWZFXIZYJKQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C(C1C=CC=CC=1)N1C=NC=C1)=O
Computed Properties
- Exact Mass: 279.100776666Da
- Monoisotopic Mass: 279.100776666Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 63.6?2
1-[(4-nitrophenyl)-phenylmethyl]imidazole Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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