Cas no 461426-32-4 (4-(Trifluoroacetylamino)benzoic Acid-d4)
461426-32-4 structure
Product Name:4-(Trifluoroacetylamino)benzoic Acid-d4
CAS No:461426-32-4
MF:C9H6F3NO3
MW:237.168699741364
CID:930229
PubChem ID:71752749
Update Time:2025-04-19
4-(Trifluoroacetylamino)benzoic Acid-d4 Chemical and Physical Properties
Names and Identifiers
-
- 4-(Trifluoroacetylamino)benzoic Acid-d4
- 2,3,5,6-tetradeuterio-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
- 4-[(2,2,2-Trifluoroacetyl)amino]benzoic Acid-d4; p-(Trifluoroacetamido)benzoic Acid-d4; NSC 150503-d4;
- 4-(2,2,2-Trifluoroacetamido)(~2~H_4_)benzoic acid
- DB-262679
- DTXSID80858526
- 461426-32-4
-
- Inchi： 1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,13,16)(H,14,15)/i1D,2D,3D,4D
- InChI Key： TZDURDLECJWHJD-RHQRLBAQSA-N
- SMILES： FC(C(NC1C([2H])=C([2H])C(C(=O)O)=C([2H])C=1[2H])=O)(F)F
Computed Properties
- Exact Mass: 233.03000
- Monoisotopic Mass: 237.05508452g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 282
- 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: 2.2
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.40000
- LogP: 1.95860
4-(Trifluoroacetylamino)benzoic Acid-d4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T786747-1mg |
4-(Trifluoroacetylamino)benzoic Acid-d4 |
461426-32-4 | 1mg |
$ 178.00 | 2023-09-05 | ||
| TRC | T786747-10mg |
4-(Trifluoroacetylamino)benzoic Acid-d4 |
461426-32-4 | 10mg |
$ 1395.00 | 2023-09-05 |
4-(Trifluoroacetylamino)benzoic Acid-d4 Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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