Cas no 111468-92-9 (1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one)
![1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one structure](https://ossimg.kuujia.com/scimg/111500/111468-92-9x500.png)
111468-92-9 structure
Product Name:1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one
CAS No:111468-92-9
MF:C11H12Cl3NO2
MW:296.577480316162
CID:2607015
PubChem ID:15599569
Update Time:2025-04-21
1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one
- DTXSID30575458
- 111468-92-9
- 1-[5-(Trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one
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- Inchi： 1S/C11H12Cl3NO2/c1-2-3-4-9(16)7-5-8(15-6-7)10(17)11(12,13)14/h5-6,15H,2-4H2,1H3
- InChI Key： ZXYJTKZLPVSBPN-UHFFFAOYSA-N
- SMILES： ClC(C(C1=CC(=CN1)C(CCCC)=O)=O)(Cl)Cl
Computed Properties
- Exact Mass: 294.993362Da
- Monoisotopic Mass: 294.993362Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 302
- 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: 3.6
- Topological Polar Surface Area: 49.9?2
1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]pentan-1-one Related Literature
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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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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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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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