Cas no 101513-67-1 (Benzoyl fluoride,2,4,5-trifluoro-)
101513-67-1 structure
Product Name:Benzoyl fluoride,2,4,5-trifluoro-
CAS No:101513-67-1
MF:C7H2F4O
MW:178.083796024323
CID:124672
PubChem ID:11052202
Update Time:2025-04-18
Benzoyl fluoride,2,4,5-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride,2,4,5-trifluoro-
- 2,4,5-Trifluorobenzoylfluoride
- Benzoyl fluoride, 2,4,5-trifluoro- (9CI)
- SCHEMBL7750943
- 101513-67-1
- 2,4,5-trifluorobenzoyl Fluoride
-
- Inchi： 1S/C7H2F4O/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H
- InChI Key： TXALMWNWYDSWQO-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=CC=1C(=O)F)F)F
Computed Properties
- Exact Mass: 178.00416
- Monoisotopic Mass: 178.00417733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 17.1?2
Experimental Properties
- PSA: 17.07
Benzoyl fluoride,2,4,5-trifluoro- Related Literature
-
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
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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