Cas no 80045-51-8 (4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide)
80045-51-8 structure
Product Name:4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide
CAS No:80045-51-8
MF:C12H12FNO
MW:205.228186607361
CID:985042
PubChem ID:54474
Update Time:2025-04-20
4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide Chemical and Physical Properties
Names and Identifiers
-
- 4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide
- DTXSID80230045
- FLUOROPROPYZAMIDE
- 80045-51-8
- AKOS013319861
-
- Inchi： 1S/C12H12FNO/c1-4-12(2,3)14-11(15)9-5-7-10(13)8-6-9/h1,5-8H,2-3H3,(H,14,15)
- InChI Key： PTBZQKPCPZYJDD-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C(NC(C#C)(C)C)=O
Computed Properties
- Exact Mass: 205.090292168g/mol
- Monoisotopic Mass: 205.090292168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 281
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2
- Topological Polar Surface Area: 29.1?2
4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
80045-51-8 (4-fluoro-N-(2-methylbut-3-yn-2-yl)benzamide) Related Products
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