Cas no 61610-53-5 (Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo-)
![Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo- structure](https://ossimg.kuujia.com/scimg/62000/61610-53-5x500.png)
61610-53-5 structure
Product Name:Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo-
CAS No:61610-53-5
MF:C12H8ClF6NO2
MW:347.640843391418
CID:472898
PubChem ID:71394120
Update Time:2025-04-19
Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo-
- N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxobutanamide
- SCHEMBL11738143
- 61610-53-5
- DTXSID70815845
-
- Inchi： 1S/C12H8ClF6NO2/c13-5-9(21)4-10(22)20-8-2-6(11(14,15)16)1-7(3-8)12(17,18)19/h1-3H,4-5H2,(H,20,22)
- InChI Key： VEHNMDIRKWWOOG-UHFFFAOYSA-N
- SMILES： ClCC(CC(NC1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)=O)=O
Computed Properties
- Exact Mass: 347.01484
- Monoisotopic Mass: 347.0147752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 401
- 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: 4.7
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
Butanamide, N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-oxo- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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