Cas no 875056-26-1 (Benzonitrile, 4-amino-5-methyl-2-(trifluoromethyl)-)
875056-26-1 structure
Product Name:Benzonitrile, 4-amino-5-methyl-2-(trifluoromethyl)-
CAS No:875056-26-1
MF:C9H7F3N2
MW:200.160492181778
CID:1902203
PubChem ID:66654425
Update Time:2025-04-21
Benzonitrile, 4-amino-5-methyl-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 4-amino-5-methyl-2-(trifluoromethyl)-
- 875056-26-1
- SCHEMBL324217
- 4-amino-5-methyl-2-(trifluoromethyl)benzonitrile
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- Inchi： 1S/C9H7F3N2/c1-5-2-6(4-13)7(3-8(5)14)9(10,11)12/h2-3H,14H2,1H3
- InChI Key： IMCJXCVCKFBSKX-UHFFFAOYSA-N
- SMILES： FC(C1C(C#N)=CC(C)=C(C=1)N)(F)F
Computed Properties
- Exact Mass: 200.05613272Da
- Monoisotopic Mass: 200.05613272Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 253
- 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: 49.8?2
Benzonitrile, 4-amino-5-methyl-2-(trifluoromethyl)- 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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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