Cas no 788-10-3 (Benzenamine, N-(3-chlorophenyl)-3-(trifluoromethyl)-)
788-10-3 structure
Product Name:Benzenamine, N-(3-chlorophenyl)-3-(trifluoromethyl)-
CAS No:788-10-3
MF:C13H9ClF3N
MW:271.665472745895
CID:533844
PubChem ID:71402988
Update Time:2025-04-19
Benzenamine, N-(3-chlorophenyl)-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-(3-chlorophenyl)-3-(trifluoromethyl)-
- N-(3-chlorophenyl)-3-(trifluoromethyl)aniline
- DTXSID50823928
- OHVHTCIYZJYGAZ-UHFFFAOYSA-N
- 3-Chloro-N-[3-(trifluoromethyl)phenyl]aniline
- 788-10-3
-
- Inchi： 1S/C13H9ClF3N/c14-10-4-2-6-12(8-10)18-11-5-1-3-9(7-11)13(15,16)17/h1-8,18H
- InChI Key： OHVHTCIYZJYGAZ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)NC1=CC=CC(C(F)(F)F)=C1
Computed Properties
- Exact Mass: 271.03767
- Monoisotopic Mass: 271.0375615g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 270
- 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: 5
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Benzenamine, N-(3-chlorophenyl)-3-(trifluoromethyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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