Cas no 55218-78-5 (2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)-)
55218-78-5 structure
Product Name:2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)-
CAS No:55218-78-5
MF:C12H8N2O3
MW:228.20352268219
CID:352524
PubChem ID:12217656
Update Time:2025-04-19
2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)-
- 4-(4-nitrophenyl)pyridine-2-carbaldehyde
- 55218-78-5
- DTXSID20480946
-
- Inchi： 1S/C12H8N2O3/c15-8-11-7-10(5-6-13-11)9-1-3-12(4-2-9)14(16)17/h1-8H
- InChI Key： QMKHMROKZXUYQN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1C=CN=C(C=O)C=1)=O
Computed Properties
- Exact Mass: 228.05354
- Monoisotopic Mass: 228.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 282
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 75.8?2
Experimental Properties
- PSA: 73.1
2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
55218-78-5 (2-Pyridinecarboxaldehyde, 4-(4-nitrophenyl)-) Related Products
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