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39959-68-7 | 1-(2-(Trifluoromethyl);phenyl);ethanamine hydrochloride
CAS No: 39959-68-7 Catalog No: AG003DSZ MDL No:MFCD12828681
Product Description
Catalog Number:
AG003DSZ
Chemical Name:
1-(2-(Trifluoromethyl);phenyl);ethanamine hydrochloride
CAS Number:
39959-68-7
Molecular Formula:
C9H11ClF3N
Molecular Weight:
225.6385
MDL Number:
MFCD12828681
IUPAC Name:
1-[2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H10F3N.ClH/c1-6(13)7-4-2-3-5-8(7)9(10,11)12;/h2-6H,13H2,1H3;1H
InChI Key:
RSQQUJNUAPWZKX-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1C(F)(F)F)N.Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.639g/mol
Monoisotopic Mass:
225.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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