Cas no 185245-06-1 (1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one)
![1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one structure](https://ossimg.kuujia.com/scimg/185500/185245-06-1x500.png)
185245-06-1 structure
Product Name:1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one
CAS No:185245-06-1
MF:C11H8N2O3S
MW:248.257821083069
CID:2784855
PubChem ID:15274245
Update Time:2025-04-21
1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one Chemical and Physical Properties
Names and Identifiers
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- AKOS012685873
- DTXSID10570860
- 185245-06-1
- 1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one
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- Inchi： 1S/C11H8N2O3S/c1-7(14)11-12-10(6-17-11)8-3-2-4-9(5-8)13(15)16/h2-6H,1H3
- InChI Key： HOSWEYYDIQVPDN-UHFFFAOYSA-N
- SMILES： S1C(C(C)=O)=NC(=C1)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 248.02556330Da
- Monoisotopic Mass: 248.02556330Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 318
- 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: 2.5
- Topological Polar Surface Area: 104?2
1-[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]ethan-1-one Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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