Cas no 62246-95-1 (Methanone, (3-nitrophenyl)-4-pyridinyl-)
62246-95-1 structure
Product Name:Methanone, (3-nitrophenyl)-4-pyridinyl-
CAS No:62246-95-1
MF:C12H8N2O3
MW:228.20352268219
CID:452622
PubChem ID:7304356
Update Time:2025-04-19
Methanone, (3-nitrophenyl)-4-pyridinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (3-nitrophenyl)-4-pyridinyl-
- (3-nitrophenyl)-pyridin-4-ylmethanone
- SCHEMBL7787640
- DTXSID30428511
- AKOS000282213
- 62246-95-1
-
- Inchi： 1S/C12H8N2O3/c15-12(9-4-6-13-7-5-9)10-2-1-3-11(8-10)14(16)17/h1-8H
- InChI Key： NRWQXMJAOUMLEO-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN=CC=1)C1C=CC=C(C=1)[N+](=O)[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: 295
- 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: 1.8
- Topological Polar Surface Area: 75.8?2
Experimental Properties
- PSA: 73.1
Methanone, (3-nitrophenyl)-4-pyridinyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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