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65990-86-5

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Basic Information
CAS No.: 65990-86-5
Name: 2,2,2-TRIFLUORO-1-(4-CHLORO-PHENYL)-ETHYLAMINE HYDROCHLORIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 65990-86-5 (2,2,2-TRIFLUORO-1-(4-CHLORO-PHENYL)-ETHYLAMINE HYDROCHLORIDE)
Formula: C8H7ClF3N.ClH
Molecular Weight: 246.059
Synonyms: Benzenemethanamine,4-chloro-a-(trifluoromethyl)-,hydrochloride (9CI);2,2,2-Trifluoro-1-(4-chlorophenyl)ethylamine hydrochloride;1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine hydrochloride (1:1);1-(4-chlorophenyl)-2,2,2-trifluoro-ethanamine hydrochloride;
PSA: 26.02000
LogP: 4.40440
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Specification

The CAS registry number of Benzenemethanamine,4-chloro-a-(trifluoromethyl)-,hydrochloride (1:1) is 65990-86-5. The IUPAC name is 1-(4-chlorophenyl)-2,2,2-trifluoroethanamine hydrochloride. In addition, the molecular formula is C8H7ClF3N.ClH and the molecular weight is 246.06. It should be stored in a cool and dry place.

Physical properties about Benzenemethanamine,4-chloro-a-(trifluoromethyl)-,hydrochloride (1:1) are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 1; (4)Exact Mass: 244.998589; (5)MonoIsotopic Mass: 244.998589; (6)Topological Polar Surface Area: 26; (7)Heavy Atom Count: 14; (8)Formal Charge: 0; (9)Complexity: 163; (10)Undefined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(C(F)(F)F)N)Cl.Cl
(2)InChI: InChI=1/C8H7ClF3N.ClH/c9-6-3-1-5(2-4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H
(3)InChIKey: RZJUXIWKZNYCAS-UHFFFAOYAV