Cas no 104455-97-2 (2,3,4-trichloro-5-fluorobenzonitrile)
104455-97-2 structure
Product Name:2,3,4-trichloro-5-fluorobenzonitrile
CAS No:104455-97-2
MF:C7HCl3FN
MW:224.446942090988
CID:1144424
PubChem ID:13784690
Update Time:2025-04-20
2,3,4-trichloro-5-fluorobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4-trichloro-5-fluorobenzonitrile
- OKRWBTOWNXSEKG-UHFFFAOYSA-N
- DTXSID70549411
- 104455-97-2
- SCHEMBL8663254
-
- Inchi： 1S/C7HCl3FN/c8-5-3(2-12)1-4(11)6(9)7(5)10/h1H
- InChI Key： OKRWBTOWNXSEKG-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(C#N)=C1Cl)F)Cl
Computed Properties
- Exact Mass: 222.915860g/mol
- Monoisotopic Mass: 222.915860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 214
- 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: 3.6
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79000
- LogP: 3.65758
2,3,4-trichloro-5-fluorobenzonitrile Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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