Cas no 1003708-50-6 (2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile)
1003708-50-6 structure
Product Name:2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile
CAS No:1003708-50-6
MF:C9H6F3NO
MW:201.14525270462
CID:1035932
PubChem ID:52982959
Update Time:2025-04-20
2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile
- 3-METHOXY -2,4,5-TRIFLUOROMETHYLBENZONITRILE
- 1003708-50-6
- MFCD27921057
- 3-Methoxy-2,4,5-(trifluoromethyl)benzonitrile
-
- Inchi： 1S/C9H6F3NO/c1-4-5(3-13)7(11)9(14-2)8(12)6(4)10/h1-2H3
- InChI Key： VBCAQXLEKXMZGX-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C(C#N)=C1C)F)OC)F
Computed Properties
- Exact Mass: 201.04018
- Monoisotopic Mass: 201.04014830g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 252
- 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: 2.3
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
1003708-50-6 (2,4,5-Trifluoro-3-methoxy-6-methylbenzonitrile) Related Products
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