Cas no 452077-64-4 (Benzenamine, 2-(trifluoromethoxy)-, hydrochloride)
452077-64-4 structure
Product Name:Benzenamine, 2-(trifluoromethoxy)-, hydrochloride
CAS No:452077-64-4
MF:C7H7ClF3NO
MW:213.58479142189
CID:3989523
PubChem ID:2781061
Update Time:2025-04-22
Benzenamine, 2-(trifluoromethoxy)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-(trifluoromethoxy)-, hydrochloride
- GAVFIYJDJTYHJG-UHFFFAOYSA-N
- 452077-64-4
- 2-(trifluoromethoxy)aniline Hydrochloride
- 2-(trifluoromethoxy)aniline;hydrochloride
-
- Inchi： 1S/C7H6F3NO.ClH/c8-7(9,10)12-6-4-2-1-3-5(6)11;/h1-4H,11H2;1H
- InChI Key： GAVFIYJDJTYHJG-UHFFFAOYSA-N
- SMILES： Cl.FC(OC1C=CC=CC=1N)(F)F
Computed Properties
- Exact Mass: 213.0168260Da
- Monoisotopic Mass: 213.0168260Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 148
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.3?2
Benzenamine, 2-(trifluoromethoxy)-, hydrochloride Related Literature
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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