Cas no 821777-22-4 (Benzonitrile, 4-(diethylamino)-2-(trifluoromethyl)-)
821777-22-4 structure
Product Name:Benzonitrile, 4-(diethylamino)-2-(trifluoromethyl)-
CAS No:821777-22-4
MF:C12H13F3N2
MW:242.240233182907
CID:697254
PubChem ID:11356913
Update Time:2025-04-19
Benzonitrile, 4-(diethylamino)-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(diethylamino)-2-(trifluoromethyl)-
- 4-(diethylamino)-2-(trifluoromethyl)benzonitrile
- DTXSID30463427
- 821777-22-4
- SCHEMBL3059975
- 4-Diethylamino-2-trifluoromethyl-benzonitrile
-
- Inchi： 1S/C12H13F3N2/c1-3-17(4-2)10-6-5-9(8-16)11(7-10)12(13,14)15/h5-7H,3-4H2,1-2H3
- InChI Key： RJJVBSQKXPHNMP-UHFFFAOYSA-N
- SMILES： FC(C1=C(C#N)C=CC(=C1)N(CC)CC)(F)F
Computed Properties
- Exact Mass: 242.10308291g/mol
- Monoisotopic Mass: 242.10308291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 3.4
- Topological Polar Surface Area: 27?2
Benzonitrile, 4-(diethylamino)-2-(trifluoromethyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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