Cas no 67858-51-9 (4-formyl-2-(trichloroacetyl)pyrrole)
67858-51-9 structure
Product Name:4-formyl-2-(trichloroacetyl)pyrrole
CAS No:67858-51-9
MF:C7H4Cl3NO2
MW:240.471158981323
CID:2144011
PubChem ID:12459977
Update Time:2025-04-21
4-formyl-2-(trichloroacetyl)pyrrole Chemical and Physical Properties
Names and Identifiers
-
- 4-formyl-2-(trichloroacetyl)pyrrole
- 5-(2,2,2-trichloroacetyl)-1H-pyrrole-3-carbaldehyde
- SCHEMBL261286
- UXVMSZXICIXIFA-UHFFFAOYSA-N
- 67858-51-9
- AKOS038557172
- 5-(Trichloroacetyl)-1H-pyrrole-3-carbaldehyde
- DB-316604
- 5-Trichloroacetyl-1H-pyrrole-3-carbaldehyde
-
- Inchi： 1S/C7H4Cl3NO2/c8-7(9,10)6(13)5-1-4(3-12)2-11-5/h1-3,11H
- InChI Key： UXVMSZXICIXIFA-UHFFFAOYSA-N
- SMILES： ClC(C(C1=CC(C=O)=CN1)=O)(Cl)Cl
Computed Properties
- Exact Mass: 238.930761Da
- Monoisotopic Mass: 238.930761Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 226
- 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
- Topological Polar Surface Area: 49.9?2
4-formyl-2-(trichloroacetyl)pyrrole Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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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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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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