Cas no 279251-06-8 ([2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI))
![[2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI) structure](https://ossimg.kuujia.com/scimg/279500/279251-06-8x500.png)
279251-06-8 structure
Product Name:[2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI)
CAS No:279251-06-8
MF:C7H6N4O
MW:162.148740291595
CID:248233
PubChem ID:10820886
Update Time:2025-04-19
[2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI)
- [2,4'-Bi-1H-imidazole]-4-carboxaldehyde(9CI)
- 2-(1H-imidazol-5-yl)-1H-imidazole-5-carbaldehyde
- ZCWOUYHXVKLQOZ-UHFFFAOYSA-N
- DTXSID40445294
- 279251-06-8
- 1H,3'H-[2,4'-Biimidazole]-5-carbaldehyde
- SCHEMBL2928851
- 1H,1'H-[2,4']Biimidazolyl-4-carbaldehyde
- 1H,1'H-[2,4'-Biimidazole]-4-carbaldehyde
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- Inchi： 1S/C7H6N4O/c12-3-5-1-9-7(11-5)6-2-8-4-10-6/h1-4H,(H,8,10)(H,9,11)
- InChI Key： ZCWOUYHXVKLQOZ-UHFFFAOYSA-N
- SMILES： O=CC1=CN=C(C2=CN=CN2)N1
Computed Properties
- Exact Mass: 160.03862
- Monoisotopic Mass: 162.05416083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 15
- XLogP3: -0.3
- Topological Polar Surface Area: 74.4?2
Experimental Properties
- PSA: 68.63
[2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI) Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
279251-06-8 ([2,4-Bi-1H-imidazole]-4-carboxaldehyde (9CI)) Related Products
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